(2R)-2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Formula: C20H29N4OS2+ MolecularWeight: 405.60046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CCN([C@H](C1)C2=NC3=CC=CC=C3S2)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H28N4OS2/c26-20(21-9-5-10-23-12-14-25-15-13-23)24-11-4-3-7-17(24)19-22-16-6-1-2-8-18(16)27-19/h1-2,6,8,17H,3-5,7,9-15H2,(H,21,26)/p+1/t17-/m1/s1