1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-3-(methylthio)propan-1-one Formula: C19H29ClN3OS+ MolecularWeight: 382.97106

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CSCCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H28ClN3OS/c1-25-13-7-19(24)23-8-3-6-18(15-23)22-11-9-21(10-12-22)17-5-2-4-16(20)14-17/h2,4-5,14,18H,3,6-13,15H2,1H3/p+1/t18-/m0/s1