[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(2,2-dimethyl-3-oxidanyl-propyl)azanium

Systemtic Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(2,2-dimethyl-3-oxidanyl-propyl)azanium Openeye Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(3-hydroxy-2,2-dimethyl-propyl)ammonium CAS Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-(3-hydroxy-2,2-dimethylpropyl)ammonium IUPAC Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(3-hydroxy-2,2-dimethylpropyl)azanium Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(3-hydroxy-2,2-dimethyl-propyl)ammonium Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]C1CCCN(C1)C2=NC3=CC=CC=C3S2)CO

Isomeric SMILES

CC(C)(C[NH2+][C@H]1CCCN(C1)C2=NC3=CC=CC=C3S2)CO

InChI

InChI=1S/C17H25N3OS/c1-17(2,12-21)11-18-13-6-5-9-20(10-13)16-19-14-7-3-4-8-15(14)22-16/h3-4,7-8,13,18,21H,5-6,9-12H2,1-2H3/p+1/t13-/m0/s1