1-[(3-methoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3-methoxyphenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3-methoxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-m-anisyl-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C29H35N2O2+ MolecularWeight: 443.6004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O2/c1-33-28-14-8-13-26(21-28)22-30-18-16-27(17-19-30)29(32)31(23-25-11-6-3-7-12-25)20-15-24-9-4-2-5-10-24/h2-14,21,27H,15-20,22-23H2,1H3/p+1