N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=CC=C4)C

InChI

InChI=1S/C24H24N4O/c1-17-18(2)28(21-10-4-3-5-11-21)24(22(17)14-25)26-23(29)16-27-13-12-19-8-6-7-9-20(19)15-27/h3-11H,12-13,15-16H2,1-2H3,(H,26,29)/p+1