N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2,5-dimethyl-benzamide

Systemtic Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2,5-dimethyl-benzamide Openeye Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2,5-dimethyl-benzamide CAS Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2,5-dimethylbenzamide IUPAC Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2,5-dimethylbenzamide Traditional Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2,5-dimethyl-benzamide Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C(C)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C(C)C)C#N

InChI

InChI=1S/C20H23N3OS/c1-12(2)23-8-7-15-17(10-21)20(25-18(15)11-23)22-19(24)16-9-13(3)5-6-14(16)4/h5-6,9,12H,7-8,11H2,1-4H3,(H,22,24)/p+1