ethyl 1-(2-azanylpropanoyl)-1-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidin-1-ium-2-carboxylate hydrochloride

Systemtic Name: ethyl 1-(2-azanylpropanoyl)-1-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidin-1-ium-2-carboxylate hydrochloride Openeye Name: ethyl 1-(2-aminopropanoyl)-1-(1-ethoxycarbonyl-3-phenyl-propyl)pyrrolidin-1-ium-2-carboxylate hydrochloride CAS Name: 1-(2-amino-1-oxopropyl)-1-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-2-pyrrolidin-1-iumcarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-(2-aminopropanoyl)-1-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)pyrrolidin-1-ium-2-carboxylate hydrochloride Traditional Name: 1-alanyl-1-(1-carbethoxy-3-phenyl-propyl)pyrrolidin-1-ium-2-carboxylic acid ethyl ester hydrochloride Formula: C22H34ClN2O5+ MolecularWeight: 441.96876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+]1(C(CCC2=CC=CC=C2)C(=O)OCC)C(=O)C(C)N.Cl

Isomeric SMILES

CCOC(=O)C1CCC[N+]1(C(CCC2=CC=CC=C2)C(=O)OCC)C(=O)C(C)N.Cl

InChI

InChI=1S/C22H33N2O5.ClH/c1-4-28-21(26)18-12-9-15-24(18,20(25)16(3)23)19(22(27)29-5-2)14-13-17-10-7-6-8-11-17;/h6-8,10-11,16,18-19H,4-5,9,12-15,23H2,1-3H3;1H/q+1;