[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: [1-[(2,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(2,4-dimethoxybenzyl)piperidin-1-ium-4-yl]-phenethyl-ammonium Formula: C29H38N2O2+2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)[NH+](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+2