[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonyl-ethoxycarbonyl-dimethyl-azanium hydrochloride

Systemtic Name: [1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonyl-ethoxycarbonyl-dimethyl-azanium hydrochloride Openeye Name: [1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarbonyl]-ethoxycarbonyl-dimethyl-ammonium hydrochloride CAS Name: [[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]-oxomethyl]-ethoxycarbonyl-dimethylammonium hydrochloride IUPAC Name: [1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropanecarbonyl]-ethoxycarbonyl-dimethylazanium hydrochloride Traditional Name: [1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarbonyl]-carbethoxy-dimethyl-ammonium hydrochloride Formula: C26H31ClN5O4+ MolecularWeight: 513.00844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+](C)(C)C(=O)C1(CC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)[N+](C)(C)C(=O)C1(CC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C26H30N5O4.ClH/c1-5-35-25(34)31(3,4)24(33)26(12-13-26)18-10-11-21-19(15-18)29-20(23(32)30(21)2)14-16-6-8-17(9-7-16)22(27)28;/h6-11,15H,5,12-14H2,1-4H3,(H3,27,28);1H/q+1;