4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butanenitrile Openeye Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butanenitrile CAS Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]butanenitrile IUPAC Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butanenitrile Traditional Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butyronitrile Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H19N3S/c17-9-3-4-10-19-11-5-6-13(12-19)16-18-14-7-1-2-8-15(14)20-16/h1-2,7-8,13H,3-6,10-12H2/p+1/t13-/m0/s1