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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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