3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,4-dimethyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3,4-dimethyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-16-9-10-18(13-17(16)2)21(24)22-14-19-7-3-4-8-20(19)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