2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile Formula: C19H18N3S+ MolecularWeight: 320.43132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3S/c20-12-14-6-1-2-7-15(14)13-22-11-5-9-17(22)19-21-16-8-3-4-10-18(16)23-19/h1-4,6-8,10,17H,5,9,11,13H2/p+1/t17-/m1/s1