methyl 4-[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1-pyridyl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methoxy-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxopyridin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=O)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=O)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C23H29N3O5/c1-16-8-10-25(11-9-16)13-19-12-20(27)21(30-2)14-26(19)15-22(28)24-18-6-4-17(5-7-18)23(29)31-3/h4-7,12,14,16H,8-11,13,15H2,1-3H3,(H,24,28)/p+1