N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-benzamide

Systemtic Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-benzamide Openeye Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-benzamide CAS Name: N-[(2R)-2-(4-ethylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methylbenzamide IUPAC Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methylbenzamide Traditional Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-benzamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)C)[NH+]3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)C)[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O/c1-3-18-9-11-19(12-10-18)21(24-13-4-5-14-24)16-23-22(25)20-8-6-7-17(2)15-20/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1