N-[3-(3-chlorophenyl)phenyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-chlorophenyl)phenyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-chlorophenyl)phenyl]-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-chlorophenyl)phenyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-chlorophenyl)phenyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-chlorophenyl)phenyl]-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C26H28ClN2O3+ MolecularWeight: 451.96512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H27ClN2O3/c1-32-24-10-4-7-21(25(24)30)17-29-13-11-18(12-14-29)26(31)28-23-9-3-6-20(16-23)19-5-2-8-22(27)15-19/h2-10,15-16,18,30H,11-14,17H2,1H3,(H,28,31)/p+1