methyl 4-[(1-carbamimidoyl-3,5-dimethyl-pyrazol-4-yl)methyl]benzoate hydrochloride

Systemtic Name: methyl 4-[(1-carbamimidoyl-3,5-dimethyl-pyrazol-4-yl)methyl]benzoate hydrochloride Openeye Name: methyl 4-[(1-carbamimidoyl-3,5-dimethyl-pyrazol-4-yl)methyl]benzoate hydrochloride CAS Name: 4-[(1-carbamimidoyl-3,5-dimethyl-4-pyrazolyl)methyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(1-carbamimidoyl-3,5-dimethylpyrazol-4-yl)methyl]benzoate hydrochloride Traditional Name: 4-[(1-amidino-3,5-dimethyl-pyrazol-4-yl)methyl]benzoic acid methyl ester hydrochloride Formula: C15H19ClN4O2 MolecularWeight: 322.78996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=N)N)C)CC2=CC=C(C=C2)C(=O)OC.Cl

Isomeric SMILES

CC1=C(C(=NN1C(=N)N)C)CC2=CC=C(C=C2)C(=O)OC.Cl

InChI

InChI=1S/C15H18N4O2.ClH/c1-9-13(10(2)19(18-9)15(16)17)8-11-4-6-12(7-5-11)14(20)21-3;/h4-7H,8H2,1-3H3,(H3,16,17);1H