propan-2-yl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]carbonylamino]butanoate

Systemtic Name: propan-2-yl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]carbonylamino]butanoate Openeye Name: isopropyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butanoate CAS Name: 2-[[3-(1-iminoethyl)phenyl]methyl]-3-[[[4-(1-methyl-4-pyridin-1-iumyl)phenyl]-oxomethyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butanoate Traditional Name: 2-(3-acetimidoylbenzyl)-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butyric acid isopropyl ester Formula: C29H34N3O3+ MolecularWeight: 472.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=CC(=C1)C(=N)C)C(C)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)C

Isomeric SMILES

CC(C)OC(=O)C(CC1=CC=CC(=C1)C(=N)C)C(C)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)C

InChI

InChI=1S/C29H33N3O3/c1-19(2)35-29(34)27(18-22-7-6-8-26(17-22)20(3)30)21(4)31-28(33)25-11-9-23(10-12-25)24-13-15-32(5)16-14-24/h6-17,19,21,27,30H,18H2,1-5H3/p+1