(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide CAS Name: (2S)-2-(1,3-benzothiazol-2-ylthio)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]propanamide IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylthio)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propionamide Formula: C16H21N4OS2+ MolecularWeight: 349.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=C1CC[NH+](CC1)C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NN=C1CC[NH+](CC1)C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H20N4OS2/c1-11(15(21)19-18-12-7-9-20(2)10-8-12)22-16-17-13-5-3-4-6-14(13)23-16/h3-6,11H,7-10H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1