4-azanyl-5-chloranyl-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide; 2,4-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide; 2,4-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-benzamide; 2,4-dihydroxy-4-oxo-butanoate CAS Name: 4-amino-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide; 2,4-dihydroxy-4-oxobutanoate IUPAC Name: 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide; 2,4-dihydroxy-4-oxobutanoate Traditional Name: 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-benzamide; 2,4-dihydroxy-4-keto-butyrate Formula: C24H30ClN3O7 MolecularWeight: 507.9639

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)[O-])O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)[O-])O)C(=O)O

InChI

InChI=1S/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)