1-[1-(4-chlorophenyl)-2-(2-methylphenyl)pyrrolidin-1-ium-1-yl]imidazole-4-carboxamide

Systemtic Name: 1-[1-(4-chlorophenyl)-2-(2-methylphenyl)pyrrolidin-1-ium-1-yl]imidazole-4-carboxamide Openeye Name: 1-[1-(4-chlorophenyl)-2-(o-tolyl)pyrrolidin-1-ium-1-yl]imidazole-4-carboxamide CAS Name: 1-[1-(4-chlorophenyl)-2-(2-methylphenyl)-1-pyrrolidin-1-iumyl]-4-imidazolecarboxamide IUPAC Name: 1-[1-(4-chlorophenyl)-2-(2-methylphenyl)pyrrolidin-1-ium-1-yl]imidazole-4-carboxamide Traditional Name: 1-[1-(4-chlorophenyl)-2-(o-tolyl)pyrrolidin-1-ium-1-yl]imidazole-4-carboxamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCC[N+]2(C3=CC=C(C=C3)Cl)N4C=C(N=C4)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C2CCC[N+]2(C3=CC=C(C=C3)Cl)N4C=C(N=C4)C(=O)N

InChI

InChI=1S/C21H21ClN4O/c1-15-5-2-3-6-18(15)20-7-4-12-26(20,17-10-8-16(22)9-11-17)25-13-19(21(23)27)24-14-25/h2-3,5-6,8-11,13-14,20H,4,7,12H2,1H3,(H-,23,27)/p+1