2-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-azanium chloride

Systemtic Name: 2-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-azanium chloride Openeye Name: 2-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium chloride CAS Name: 2-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethylammonium chloride IUPAC Name: 2-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethylazanium chloride Traditional Name: 2-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium chloride Formula: C17H31ClN4O MolecularWeight: 342.90724

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCN1CCCN(CC1)C2=CC=C(C=C2)N)CCO.[Cl-]

Isomeric SMILES

C[N+](C)(CCN1CCCN(CC1)C2=CC=C(C=C2)N)CCO.[Cl-]

InChI

InChI=1S/C17H31N4O.ClH/c1-21(2,14-15-22)13-12-19-8-3-9-20(11-10-19)17-6-4-16(18)5-7-17;/h4-7,22H,3,8-15,18H2,1-2H3;1H/q+1;/p-1