methyl 1-carbamimidoyl-3-methyl-5-(phenylmethyl)pyrazole-4-carboxylate hydrochloride

Systemtic Name: methyl 1-carbamimidoyl-3-methyl-5-(phenylmethyl)pyrazole-4-carboxylate hydrochloride Openeye Name: methyl 5-benzyl-1-carbamimidoyl-3-methyl-pyrazole-4-carboxylate hydrochloride CAS Name: 1-carbamimidoyl-3-methyl-5-(phenylmethyl)-4-pyrazolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 5-benzyl-1-carbamimidoyl-3-methylpyrazole-4-carboxylate hydrochloride Traditional Name: 1-amidino-5-benzyl-3-methyl-pyrazole-4-carboxylic acid methyl ester hydrochloride Formula: C14H17ClN4O2 MolecularWeight: 308.76338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC)CC2=CC=CC=C2)C(=N)N.Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC)CC2=CC=CC=C2)C(=N)N.Cl

InChI

InChI=1S/C14H16N4O2.ClH/c1-9-12(13(19)20-2)11(18(17-9)14(15)16)8-10-6-4-3-5-7-10;/h3-7H,8H2,1-2H3,(H3,15,16);1H