[3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium chloride

Systemtic Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium chloride CAS Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium chloride Formula: C17H31ClN4O MolecularWeight: 342.90724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CN1CCCN(CC1)C2=CC=C(C=C2)N)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CC(CN1CCCN(CC1)C2=CC=C(C=C2)N)O.[Cl-]

InChI

InChI=1S/C17H31N4O.ClH/c1-21(2,3)14-17(22)13-19-9-4-10-20(12-11-19)16-7-5-15(18)6-8-16;/h5-8,17,22H,4,9-14,18H2,1-3H3;1H/q+1;/p-1