[(3R)-1-[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]piperidin-3-yl]methanol

Systemtic Name: [(3R)-1-[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]piperidin-3-yl]methanol Openeye Name: [(3R)-1-[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolyl]-3-piperidyl]methanol CAS Name: [(3R)-1-[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolinyl]-3-piperidinyl]methanol IUPAC Name: [(3R)-1-[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]piperidin-3-yl]methanol Traditional Name: [(3R)-1-[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolyl]-3-piperidyl]methanol Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3C(=C2)C4=[NH+]C5=CC=CC=C5S4)CO

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC3=CC=CC=C3C(=C2)C4=[NH+]C5=CC=CC=C5S4)CO

InChI

InChI=1S/C22H21N3OS/c26-14-15-6-5-11-25(13-15)21-12-17(16-7-1-2-8-18(16)23-21)22-24-19-9-3-4-10-20(19)27-22/h1-4,7-10,12,15,26H,5-6,11,13-14H2/p+1/t15-/m1/s1