2-(5-ethanoyl-2-methoxy-phenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(5-ethanoyl-2-methoxy-phenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide CAS Name: 2-(5-acetyl-2-methoxyphenyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-16(25)18-8-9-21(27-2)19(12-18)13-22(26)23-20-10-11-24(15-20)14-17-6-4-3-5-7-17/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1