4-[1-[(2-bromophenyl)carbamoylamino]-2-ethanoyl-pyrrolidin-1-ium-1-yl]oxybenzoic acid

Systemtic Name: 4-[1-[(2-bromophenyl)carbamoylamino]-2-ethanoyl-pyrrolidin-1-ium-1-yl]oxybenzoic acid Openeye Name: 4-[2-acetyl-1-[(2-bromophenyl)carbamoylamino]pyrrolidin-1-ium-1-yl]oxybenzoic acid CAS Name: 4-[[2-acetyl-1-[[(2-bromoanilino)-oxomethyl]amino]-1-pyrrolidin-1-iumyl]oxy]benzoic acid IUPAC Name: 4-[2-acetyl-1-[(2-bromophenyl)carbamoylamino]pyrrolidin-1-ium-1-yl]oxybenzoic acid Traditional Name: 4-[2-acetyl-1-[(2-bromophenyl)carbamoylamino]pyrrolidin-1-ium-1-yl]oxybenzoic acid Formula: C20H21BrN3O5+ MolecularWeight: 463.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC[N+]1(NC(=O)NC2=CC=CC=C2Br)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)C1CCC[N+]1(NC(=O)NC2=CC=CC=C2Br)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20BrN3O5/c1-13(25)18-7-4-12-24(18,29-15-10-8-14(9-11-15)19(26)27)23-20(28)22-17-6-3-2-5-16(17)21/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H2-,22,23,26,27,28)/p+1