1-[(2,3-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-o-veratryl-piperazine-1,4-diium Formula: C25H38N3O2+3 MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N3O2/c1-29-24-10-6-9-22(25(24)30-2)20-27-15-17-28(18-16-27)23-11-13-26(14-12-23)19-21-7-4-3-5-8-21/h3-10,23H,11-20H2,1-2H3/p+3