[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(thian-4-yl)azanium

Systemtic Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(thian-4-yl)azanium Openeye Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-(4-thianyl)ammonium IUPAC Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(thian-4-yl)azanium Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C17H24N3S2+ MolecularWeight: 334.52256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]C4CCSCC4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]C4CCSCC4

InChI

InChI=1S/C17H23N3S2/c1-2-6-16-15(5-1)19-17(22-16)20-9-3-4-14(12-20)18-13-7-10-21-11-8-13/h1-2,5-6,13-14,18H,3-4,7-12H2/p+1/t14-/m0/s1