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

Systemtic Name: [2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-2-methyl-propanoyl]-ethoxycarbonyl-dimethyl-azanium hydrochloride Openeye Name: [2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-2-methyl-propanoyl]-ethoxycarbonyl-dimethyl-ammonium hydrochloride CAS Name: [2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-2-methyl-1-oxopropyl]-ethoxycarbonyl-dimethylammonium hydrochloride IUPAC Name: [2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-2-methylpropanoyl]-ethoxycarbonyl-dimethylazanium hydrochloride Traditional Name: [2-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-2-methyl-propanoyl]-carbethoxy-dimethyl-ammonium hydrochloride Formula: C26H33ClN5O4+ MolecularWeight: 515.02432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N5O4.ClH/c1-7-35-25(34)31(5,6)24(33)26(2,3)18-12-13-21-19(15-18)29-20(23(32)30(21)4)14-16-8-10-17(11-9-16)22(27)28;/h8-13,15H,7,14H2,1-6H3,(H3,27,28);1H/q+1;