1-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C21H21ClN3O2+ MolecularWeight: 382.86334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H20ClN3O2/c1-14-10-18(15(2)25(14)12-16-6-3-4-8-19(16)22)20(26)13-24-9-5-7-17(11-24)21(23)27/h3-11H,12-13H2,1-2H3,(H-,23,27)/p+1