2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]ethanone Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]ethanone CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-1-[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]ethanone Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[4-(methylthio)benzoyl]piperidino]ethanone Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H31N3O2S/c1-3-22-11-13-23(14-12-22)16-20(25)24-10-4-5-18(15-24)21(26)17-6-8-19(27-2)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3/p+1/t18-/m0/s1