1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-methylsulfanylphenyl)carbonylpiperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-methylsulfanylphenyl)carbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-methylsulfanylbenzoyl)-3-piperidyl]propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3R)-1-[[2-(methylthio)phenyl]-oxomethyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-(methylthio)benzoyl]-3-piperidyl]propan-1-one Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H31N3O2S/c1-22-12-14-23(15-13-22)20(25)10-9-17-6-5-11-24(16-17)21(26)18-7-3-4-8-19(18)27-2/h3-4,7-8,17H,5-6,9-16H2,1-2H3/p+1/t17-/m1/s1