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methyl 1-[(2,6-dimethylphenyl)carbamoyl]piperazine-2-carboxylate hydrate dihydrochloride

methyl 1-[(2,6-dimethylphenyl)carbamoyl]piperazine-2-carboxylate hydrate dihydrochloride

Systemtic Name:methyl 1-[(2,6-dimethylphenyl)carbamoyl]piperazine-2-carboxylate hydrate dihydrochloride
Openeye Name:methyl 1-[(2,6-dimethylphenyl)carbamoyl]piperazine-2-carboxylate hydrate dihydrochloride
CAS Name:1-[(2,6-dimethylanilino)-oxomethyl]-2-piperazinecarboxylic acid methyl ester hydrate dihydrochloride
IUPAC Name:methyl 1-[(2,6-dimethylphenyl)carbamoyl]piperazine-2-carboxylate hydrate dihydrochloride
Traditional Name:1-[(2,6-dimethylphenyl)carbamoyl]piperazine-2-carboxylic acid methyl ester hydrate dihydrochloride
Formula: C15H25Cl2N3O4
MolecularWeight: 382.2827
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N2CCNCC2C(=O)OC.O.Cl.Cl


Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N2CCNCC2C(=O)OC.O.Cl.Cl


InChI

InChI=1S/C15H21N3O3.2ClH.H2O/c1-10-5-4-6-11(2)13(10)17-15(20)18-8-7-16-9-12(18)14(19)21-3;;;/h4-6,12,16H,7-9H2,1-3H3,(H,17,20);2*1H;1H2


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