1-[(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C25H36N3O3+ MolecularWeight: 426.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H35N3O3/c1-29-23-8-6-21(7-9-23)27-13-15-28(16-14-27)22-5-4-12-26(19-22)18-20-17-24(30-2)10-11-25(20)31-3/h6-11,17,22H,4-5,12-16,18-19H2,1-3H3/p+1/t22-/m0/s1