4-azanyl-5-chloranyl-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-benzamide; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 4-amino-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-benzamide; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C24H28ClN3O6 MolecularWeight: 489.94862

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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(=CC(=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-])\C(=O)O

InChI

InChI=1S/C20H24ClN3O2.C4H4O4/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;5-3(6)1-2-4(7)8/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1+