4-(2,5-dimethylpyrrol-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4)C

InChI

InChI=1S/C25H35N3O/c1-20-9-10-21(2)28(20)23-13-11-22(12-14-23)24(29)26-19-25(15-5-3-6-16-25)27-17-7-4-8-18-27/h9-14H,3-8,15-19H2,1-2H3,(H,26,29)/p+1