1-carbamimidoyl-1-(2,5-dimethylphenyl)-3-hexyl-urea hydrochloride

Systemtic Name: 1-carbamimidoyl-1-(2,5-dimethylphenyl)-3-hexyl-urea hydrochloride Openeye Name: 1-carbamimidoyl-1-(2,5-dimethylphenyl)-3-hexyl-urea hydrochloride CAS Name: 1-carbamimidoyl-1-(2,5-dimethylphenyl)-3-hexylurea hydrochloride IUPAC Name: 1-carbamimidoyl-1-(2,5-dimethylphenyl)-3-hexylurea hydrochloride Traditional Name: 1-amidino-1-(2,5-dimethylphenyl)-3-hexyl-urea hydrochloride Formula: C16H27ClN4O MolecularWeight: 326.86478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(C1=C(C=CC(=C1)C)C)C(=N)N.Cl

Isomeric SMILES

CCCCCCNC(=O)N(C1=C(C=CC(=C1)C)C)C(=N)N.Cl

InChI

InChI=1S/C16H26N4O.ClH/c1-4-5-6-7-10-19-16(21)20(15(17)18)14-11-12(2)8-9-13(14)3;/h8-9,11H,4-7,10H2,1-3H3,(H3,17,18)(H,19,21);1H