3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]benzonitrile Formula: C20H20N3S+ MolecularWeight: 334.4579

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H19N3S/c21-13-15-4-3-5-16(12-15)14-23-10-8-17(9-11-23)20-22-18-6-1-2-7-19(18)24-20/h1-7,12,17H,8-11,14H2/p+1