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

Systemtic Name: 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(2-hydroxy-3-methoxy-benzyl)-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C29H35N2O3+ MolecularWeight: 459.5998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O3/c1-34-27-14-8-13-26(28(27)32)22-30-18-16-25(17-19-30)29(33)31(21-24-11-6-3-7-12-24)20-15-23-9-4-2-5-10-23/h2-14,25,32H,15-22H2,1H3/p+1