N-(2-chloranyl-4-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C19H22ClN2O+ MolecularWeight: 329.84378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)Cl

InChI

InChI=1S/C19H21ClN2O/c1-14-4-9-18(17(20)12-14)21-19(23)16-7-5-15(6-8-16)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)/p+1