2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-(4-methylthiazol-2-yl)sulfanyl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]ethanone CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C21H29N4OS2+ MolecularWeight: 417.61116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4OS2/c1-17-15-27-21(22-17)28-16-20(26)25-9-5-8-19(14-25)24-12-10-23(11-13-24)18-6-3-2-4-7-18/h2-4,6-7,15,19H,5,8-14,16H2,1H3/p+1/t19-/m0/s1