4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C

InChI

InChI=1S/C22H31N3O/c1-15-7-8-16(2)25(15)19-11-9-17(10-12-19)20(26)23-18-13-21(3,4)24-22(5,6)14-18/h7-12,18,24H,13-14H2,1-6H3,(H,23,26)/p+1