1-[3-aminocarbonyl-5-(1-phenylethyl)thiophen-2-yl]-1-ethanoyl-3-oxidanyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[3-aminocarbonyl-5-(1-phenylethyl)thiophen-2-yl]-1-ethanoyl-3-oxidanyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-acetyl-1-[3-carbamoyl-5-(1-phenylethyl)-2-thienyl]-3-hydroxy-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-acetyl-1-[3-carbamoyl-5-(1-phenylethyl)-2-thiophenyl]-3-hydroxy-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-acetyl-1-[3-carbamoyl-5-(1-phenylethyl)thiophen-2-yl]-3-hydroxypyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-acetyl-1-[3-carbamoyl-5-(1-phenylethyl)-2-thienyl]-3-hydroxy-pyrrolidin-1-ium-2-carboxylic acid Formula: C20H23N2O5S+ MolecularWeight: 403.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)[N+]3(CCC(C3C(=O)O)O)C(=O)C)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(S2)[N+]3(CCC(C3C(=O)O)O)C(=O)C)C(=O)N

InChI

InChI=1S/C20H22N2O5S/c1-11(13-6-4-3-5-7-13)16-10-14(18(21)25)19(28-16)22(12(2)23)9-8-15(24)17(22)20(26)27/h3-7,10-11,15,17,24H,8-9H2,1-2H3,(H2-,21,25,26,27)/p+1