2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCCC1C2=NC3=CC=CC=C3S2)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCC[C@@H]1C2=NC3=CC=CC=C3S2)C4(CCCCC4)C#N

InChI

InChI=1S/C21H26N4OS/c1-24(21(15-22)11-5-2-6-12-21)19(26)14-25-13-7-9-17(25)20-23-16-8-3-4-10-18(16)27-20/h3-4,8,10,17H,2,5-7,9,11-14H2,1H3/p+1/t17-/m1/s1