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

Systemtic Name: 1-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Openeye Name: 1-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-(2-methylphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Traditional Name: 1-(o-tolyl)-4-[(3S)-1-o-veratrylpiperidin-1-ium-3-yl]piperazine Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C25H35N3O2/c1-20-8-4-5-11-23(20)28-16-14-27(15-17-28)22-10-7-13-26(19-22)18-21-9-6-12-24(29-2)25(21)30-3/h4-6,8-9,11-12,22H,7,10,13-19H2,1-3H3/p+1/t22-/m0/s1