methyl 4-[(E)-3-oxidanylidene-3-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]amino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-31-24(30)19-10-7-18(8-11-19)9-12-22(28)25-21-13-15-27(16-14-21)17-23(29)26-20-5-3-2-4-6-20/h2-12,21H,13-17H2,1H3,(H,25,28)(H,26,29)/p+1/b12-9+