3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]propan-1-one Formula: C23H38N3OS+ MolecularWeight: 404.63232

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCC[C@@H](C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H37N3OS/c1-28-18-6-13-24-12-5-9-22(20-24)10-11-23(27)26-16-14-25(15-17-26)19-21-7-3-2-4-8-21/h2-4,7-8,22H,5-6,9-20H2,1H3/p+1/t22-/m1/s1