(E)-[1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-2-(4-tert-butylphenyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate
Molecular Formula:
C
27
H
33
N
3
O
4
InChI:
InChI=1/C27H33N3O4/c1-27(2,3)21-7-5-19(6-8-21)23-22(24(31)20-9-11-28-12-10-20)25(32)26(33)30(23)14-4-13-29-15-17-34-18-16-29/h5-12,23,31H,4,13-18H2,1-3H3/b24-22+/f/h31h,29H
InChIKey:
InChIKey=ZDXRHIXABFYAFF-QCFHNGSSDT
SMILES:
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
Names:
(E)-[1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-2-(4-tert-butylphenyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate
Registries:
PubChem CID 6376931
PubChem ID 11605579