4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-dimethylphenyl)piperazin-4-ium-2-carboxamide hydrate dihydrochloride

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-dimethylphenyl)piperazin-4-ium-2-carboxamide hydrate dihydrochloride Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(2,6-dimethylphenyl)piperazin-4-ium-2-carboxamide hydrate dihydrochloride CAS Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dimethylphenyl)-2-piperazin-4-iumcarboxamide hydrate dihydrochloride IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dimethylphenyl)piperazin-4-ium-2-carboxamide hydrate dihydrochloride Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(2,6-dimethylphenyl)piperazin-4-ium-2-carboxamide hydrate dihydrochloride Formula: C15H27Cl2N4O3+ MolecularWeight: 382.30588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CCNC(C2)C(=O)N)CC(=O)N.O.Cl.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CCNC(C2)C(=O)N)CC(=O)N.O.Cl.Cl

InChI

InChI=1S/C15H22N4O2.2ClH.H2O/c1-10-4-3-5-11(2)14(10)19(9-13(16)20)7-6-18-12(8-19)15(17)21;;;/h3-5,12,18H,6-9H2,1-2H3,(H3-,16,17,20,21);2*1H;1H2/p+1