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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-phenethyl-1-veratryl-piperidin-1-ium-4-carboxamide Formula: C30H37N2O3+ MolecularWeight: 473.62638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O3/c1-34-28-14-13-26(21-29(28)35-2)22-31-18-16-27(17-19-31)30(33)32(23-25-11-7-4-8-12-25)20-15-24-9-5-3-6-10-24/h3-14,21,27H,15-20,22-23H2,1-2H3/p+1