methyl N-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-3-yl]carbonyl-methyl-carbamoyl]-N-methyl-carbamate hydrochloride

Systemtic Name: methyl N-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-3-yl]carbonyl-methyl-carbamoyl]-N-methyl-carbamate hydrochloride Openeye Name: methyl N-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-3-carbonyl]-methyl-carbamoyl]-N-methyl-carbamate hydrochloride CAS Name: N-[[[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-3-yl]-oxomethyl]-methylamino]-oxomethyl]-N-methylcarbamic acid methyl ester hydrochloride IUPAC Name: methyl N-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-3-carbonyl]-methylcarbamoyl]-N-methylcarbamate hydrochloride Traditional Name: N-[[6-(4-amidinophenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-3-carbonyl]-methyl-carbamoyl]-N-methyl-carbamic acid methyl ester hydrochloride Formula: C18H23ClN6O5 MolecularWeight: 438.86542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=C(N[N+]1(C)[O-])C2=CC=C(C=C2)C(=N)N)C(=O)N(C)C(=O)OC.Cl

Isomeric SMILES

CN(C(=O)C1=CC=C(N[N+]1(C)[O-])C2=CC=C(C=C2)C(=N)N)C(=O)N(C)C(=O)OC.Cl

InChI

InChI=1S/C18H22N6O5.ClH/c1-22(17(26)23(2)18(27)29-4)16(25)14-10-9-13(21-24(14,3)28)11-5-7-12(8-6-11)15(19)20;/h5-10,21H,1-4H3,(H3,19,20);1H