1-[(3,4-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-veratryl-piperazin-4-ium Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

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