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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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