1-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(4-chlorobenzyl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C23H31ClN3O+ MolecularWeight: 400.96474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClN3O/c1-28-23-7-3-2-6-22(23)27-15-13-26(14-16-27)21-5-4-12-25(18-21)17-19-8-10-20(24)11-9-19/h2-3,6-11,21H,4-5,12-18H2,1H3/p+1/t21-/m0/s1