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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC(=CC(=C4)OC)OC

InChI

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