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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O/c1-16-6-5-7-20(17(16)2)21(24)22-14-18-8-10-19(11-9-18)15-23-12-3-4-13-23/h5-11H,3-4,12-15H2,1-2H3,(H,22,24)/p+1