2,5-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2,5-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2,5-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2,5-dimethyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2,5-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2,5-dimethyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O/c1-16-9-10-17(2)20(13-16)21(24)22-14-18-7-3-4-8-19(18)15-23-11-5-6-12-23/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3,(H,22,24)/p+1