1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropane-1-carboxylic acid hydrochloride

Systemtic Name: 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropane-1-carboxylic acid hydrochloride Openeye Name: 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarboxylic acid hydrochloride CAS Name: 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-1-cyclopropanecarboxylic acid hydrochloride IUPAC Name: 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropane-1-carboxylic acid hydrochloride Traditional Name: 1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarboxylic acid hydrochloride Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C21H20N4O3.ClH/c1-25-17-7-6-14(21(8-9-21)20(27)28)11-15(17)24-16(19(25)26)10-12-2-4-13(5-3-12)18(22)23;/h2-7,11H,8-10H2,1H3,(H3,22,23)(H,27,28);1H