ethanedioic acid; ethanoyl-[(3S)-1-phenethylpyrrolidin-3-yl]-diphenyl-azanium

Systemtic Name: ethanedioic acid; ethanoyl-[(3S)-1-phenethylpyrrolidin-3-yl]-diphenyl-azanium Openeye Name: acetyl-[(3S)-1-phenethylpyrrolidin-3-yl]-diphenyl-ammonium; oxalic acid CAS Name: acetyl-[(3S)-1-phenethyl-3-pyrrolidinyl]-diphenylammonium; oxalic acid IUPAC Name: acetyl-[(3S)-1-phenethylpyrrolidin-3-yl]-diphenylazanium; oxalic acid Traditional Name: acetyl-[(3S)-1-phenethylpyrrolidin-3-yl]-diphenyl-ammonium; oxalic acid Formula: C28H31N2O5+ MolecularWeight: 475.55614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](C1CCN(C1)CCC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)[N+]([C@H]1CCN(C1)CCC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N2O.C2H2O4/c1-22(29)28(24-13-7-3-8-14-24,25-15-9-4-10-16-25)26-18-20-27(21-26)19-17-23-11-5-2-6-12-23;3-1(4)2(5)6/h2-16,26H,17-21H2,1H3;(H,3,4)(H,5,6)/q+1;/t26-;/m0./s1