[2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-1H-quinoxalin-6-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-carboxy-ethanoyl-methyl-azanium hydrochloride

Systemtic Name: [2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-1H-quinoxalin-6-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-carboxy-ethanoyl-methyl-azanium hydrochloride Openeye Name: acetyl-[2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl]-carboxy-methyl-ammonium hydrochloride CAS Name: acetyl-[2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]-carboxy-methylammonium hydrochloride IUPAC Name: acetyl-[2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl]-carboxy-methylazanium hydrochloride Traditional Name: acetyl-[2-[3-(3-amidinobenzyl)-2-keto-1H-quinoxalin-6-yl]-3-keto-2-methyl-3-pyrrolidino-propyl]-carboxy-methyl-ammonium hydrochloride Formula: C28H34ClN6O5+ MolecularWeight: 570.05976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](C)(CC(C)(C1=CC2=C(C=C1)NC(=O)C(=N2)CC3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4)C(=O)O.Cl

Isomeric SMILES

CC(=O)[N+](C)(CC(C)(C1=CC2=C(C=C1)NC(=O)C(=N2)CC3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4)C(=O)O.Cl

InChI

InChI=1S/C28H32N6O5.ClH/c1-17(35)34(3,27(38)39)16-28(2,26(37)33-11-4-5-12-33)20-9-10-21-22(15-20)31-23(25(36)32-21)14-18-7-6-8-19(13-18)24(29)30;/h6-10,13,15H,4-5,11-12,14,16H2,1-3H3,(H4-,29,30,32,36,38,39);1H/p+1