1-[(2,3-dimethoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-phenethyl-piperidin-1-ium-4-amine CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-amine Traditional Name: benzyl-(1-o-veratrylpiperidin-1-ium-4-yl)-phenethyl-amine Formula: C29H37N2O2+ MolecularWeight: 445.61628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O2/c1-32-28-15-9-14-26(29(28)33-2)23-30-19-17-27(18-20-30)31(22-25-12-7-4-8-13-25)21-16-24-10-5-3-6-11-24/h3-15,27H,16-23H2,1-2H3/p+1