N-(2-ethyl-6-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C21H26N2O/c1-3-18-8-6-7-16(2)20(18)22-21(24)19-11-9-17(10-12-19)15-23-13-4-5-14-23/h6-12H,3-5,13-15H2,1-2H3,(H,22,24)/p+1