(E)-(2-methyl-4-phenylmethoxy-phenyl)-[1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-2-thiophen-2-yl-pyrrolidin-3-ylidene]methanolate
Molecular Formula:
C
29
H
30
N
2
O
5
S
InChI:
InChI=1/C29H30N2O5S/c1-20-18-22(36-19-21-6-3-2-4-7-21)9-10-23(20)27(32)25-26(24-8-5-17-37-24)31(29(34)28(25)33)12-11-30-13-15-35-16-14-30/h2-10,17-18,26,32H,11-16,19H2,1H3/b27-25+/f/h32h,30H
InChIKey:
InChIKey=JYPLSVUNVKYSSP-IYCHKHOKDZ
SMILES:
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC=CS5)[O-]
Names:
(E)-(2-methyl-4-phenylmethoxy-phenyl)-[1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-2-thiophen-2-yl-pyrrolidin-3-ylidene]methanolate
Registries:
PubChem CID 6303230
PubChem ID 11594693