4-(4-methyl-1,4-diazepan-1-yl)aniline hydrate trihydrochloride

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)aniline hydrate trihydrochloride Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)aniline hydrate trihydrochloride CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)aniline hydrate trihydrochloride IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)aniline hydrate trihydrochloride Traditional Name: [4-(4-methyl-1,4-diazepan-1-yl)phenyl]amine hydrate trihydrochloride Formula: C12H24Cl3N3O MolecularWeight: 332.69746

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)N.O.Cl.Cl.Cl

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)N.O.Cl.Cl.Cl

InChI

InChI=1S/C12H19N3.3ClH.H2O/c1-14-7-2-8-15(10-9-14)12-5-3-11(13)4-6-12;;;;/h3-6H,2,7-10,13H2,1H3;3*1H;1H2