4-(4-aminophenyl)-1,1-dimethyl-1,4-diazepan-1-ium-6-ol chloride

Systemtic Name: 4-(4-aminophenyl)-1,1-dimethyl-1,4-diazepan-1-ium-6-ol chloride Openeye Name: 4-(4-aminophenyl)-1,1-dimethyl-1,4-diazepan-1-ium-6-ol chloride CAS Name: 4-(4-aminophenyl)-1,1-dimethyl-1,4-diazepan-1-ium-6-ol chloride IUPAC Name: 4-(4-aminophenyl)-1,1-dimethyl-1,4-diazepan-1-ium-6-ol chloride Traditional Name: 4-(4-aminophenyl)-1,1-dimethyl-1,4-diazepan-1-ium-6-ol chloride Formula: C13H22ClN3O MolecularWeight: 271.78628

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC(C1)O)C2=CC=C(C=C2)N)C.[Cl-]

Isomeric SMILES

C[N+]1(CCN(CC(C1)O)C2=CC=C(C=C2)N)C.[Cl-]

InChI

InChI=1S/C13H22N3O.ClH/c1-16(2)8-7-15(9-13(17)10-16)12-5-3-11(14)4-6-12;/h3-6,13,17H,7-10,14H2,1-2H3;1H/q+1;/p-1