(1R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-phenylethanol IUPAC Name: (1R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1R)-2-[4-(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:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)C[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C20H22N2OS/c23-18(15-6-2-1-3-7-15)14-22-12-10-16(11-13-22)20-21-17-8-4-5-9-19(17)24-20/h1-9,16,18,23H,10-14H2/p+1/t18-/m0/s1