2-(3,4-dimethoxyphenyl)ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-homoveratryl-ammonium Formula: C22H32N2O2+2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H30N2O2/c1-25-21-9-8-18(16-22(21)26-2)10-13-23-20-11-14-24(15-12-20)17-19-6-4-3-5-7-19/h3-9,16,20,23H,10-15,17H2,1-2H3/p+2