[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1H-imidazol-2-ylmethyl)azanium

Systemtic Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1H-imidazol-2-ylmethyl)azanium Openeye Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(1H-imidazol-2-ylmethyl)ammonium CAS Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-(1H-imidazol-2-ylmethyl)ammonium IUPAC Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1H-imidazol-2-ylmethyl)azanium Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(1H-imidazol-2-ylmethyl)ammonium Formula: C16H20N5S+ MolecularWeight: 314.4285

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=NC=CN4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=NC=CN4

InChI

InChI=1S/C16H19N5S/c1-2-6-14-13(5-1)20-16(22-14)21-9-3-4-12(11-21)19-10-15-17-7-8-18-15/h1-2,5-8,12,19H,3-4,9-11H2,(H,17,18)/p+1/t12-/m0/s1