4-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)aniline chloride

Systemtic Name: 4-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)aniline chloride Openeye Name: 4-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)aniline chloride CAS Name: 4-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)aniline chloride IUPAC Name: 4-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)aniline chloride Traditional Name: [4-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)phenyl]amine chloride Formula: C13H22ClN3 MolecularWeight: 255.78688

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(CC1)C2=CC=C(C=C2)N)C.[Cl-]

Isomeric SMILES

C[N+]1(CCCN(CC1)C2=CC=C(C=C2)N)C.[Cl-]

InChI

InChI=1S/C13H22N3.ClH/c1-16(2)10-3-8-15(9-11-16)13-6-4-12(14)5-7-13;/h4-7H,3,8-11,14H2,1-2H3;1H/q+1;/p-1