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

Systemtic Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-(2-methoxyphenyl)-4-(1-veratrylpiperidin-1-ium-4-yl)piperazine Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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