2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-(1-methyl-2-pyrrolyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C23H30N5O+ MolecularWeight: 392.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CN3C)C(=O)NCC[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CN3C)C(=O)NCC[NH+]4CCCC4)C

InChI

InChI=1S/C23H29N5O/c1-17-8-9-20(18(2)15-17)28-22(16-19(25-28)21-7-6-11-26(21)3)23(29)24-10-14-27-12-4-5-13-27/h6-9,11,15-16H,4-5,10,12-14H2,1-3H3,(H,24,29)/p+1