[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-1H-quinoxalin-6-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-carboxy-ethanoyl-methyl-azanium

Systemtic Name: [2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-1H-quinoxalin-6-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-carboxy-ethanoyl-methyl-azanium Openeye Name: acetyl-[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl]-carboxy-methyl-ammonium CAS Name: acetyl-[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]-carboxy-methylammonium IUPAC Name: acetyl-[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl]-carboxy-methylazanium Traditional Name: acetyl-[2-[3-(4-amidinobenzyl)-2-keto-1H-quinoxalin-6-yl]-3-keto-2-methyl-3-pyrrolidino-propyl]-carboxy-methyl-ammonium Formula: C28H33N6O5+ MolecularWeight: 533.59882

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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=C(C=C3)C(=N)N)C(=O)N4CCCC4)C(=O)O

Isomeric SMILES

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

InChI

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