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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O/c1-28-23-9-7-21(8-10-23)26-12-14-27(15-13-26)22-6-3-11-25(18-22)17-19-4-2-5-20(24)16-19/h2,4-5,7-10,16,22H,3,6,11-15,17-18H2,1H3/p+1/t22-/m0/s1