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

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]benzonitrile CAS Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethoxy]benzonitrile IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]benzonitrile Traditional Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]benzonitrile Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCOC4=CC=CC=C4C#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCOC4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N3OS/c22-15-17-5-1-3-7-19(17)25-14-13-24-11-9-16(10-12-24)21-23-18-6-2-4-8-20(18)26-21/h1-8,16H,9-14H2/p+1