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

Systemtic Name: 3-methylsulfanyl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(methylthio)-1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]propan-1-one Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3OS/c1-24-15-9-19(23)22-10-5-8-18(16-22)21-13-11-20(12-14-21)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3/p+1/t18-/m0/s1