4-[(2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-hydroxy-propoxy]benzonitrile Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)C[C@H](COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C22H23N3O2S/c23-13-16-5-7-19(8-6-16)27-15-18(26)14-25-11-9-17(10-12-25)22-24-20-3-1-2-4-21(20)28-22/h1-8,17-18,26H,9-12,14-15H2/p+1/t18-/m1/s1