1-[(2,5-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2,5-dimethoxybenzyl)piperazine-1,4-diium Formula: C25H38N3O2+3 MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2/c1-29-24-8-9-25(30-2)22(18-24)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+3