[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-phenethyl-azanium

Systemtic Name: [(3S)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-phenethyl-azanium Openeye Name: [(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-phenethyl-ammonium CAS Name: [(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]-phenethylammonium IUPAC Name: [(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-phenethylazanium Traditional Name: [(3S)-1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-phenethyl-ammonium Formula: C21H23N2O4+ MolecularWeight: 367.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-2-27-21(26)16-8-10-17(11-9-16)23-19(24)14-18(20(23)25)22-13-12-15-6-4-3-5-7-15/h3-11,18,22H,2,12-14H2,1H3/p+1/t18-/m0/s1