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

Systemtic Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H35N3O3/c1-29-22-8-9-24(30-2)20(18-22)19-26-12-10-21(11-13-26)27-14-16-28(17-15-27)23-6-4-5-7-25(23)31-3/h4-9,18,21H,10-17,19H2,1-3H3/p+1