(1S)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-ethanol Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(C2=CC=CC=C2)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](C[NH+](C1)C[C@H](C2=CC=CC=C2)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2OS/c23-18(15-7-2-1-3-8-15)14-22-12-6-9-16(13-22)20-21-17-10-4-5-11-19(17)24-20/h1-5,7-8,10-11,16,18,23H,6,9,12-14H2/p+1/t16-,18-/m1/s1