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

Systemtic Name: trimethyl-[3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]azanium ethanoate Openeye Name: [2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethyl-ammonium acetate CAS Name: [2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethylammonium acetate IUPAC Name: [2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethylazanium acetate Traditional Name: [2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethyl-ammonium acetate Formula: C19H32N4O5 MolecularWeight: 396.48118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N4O3.C2H4O2/c1-21(2,3)14-17(22)13-18-9-4-10-19(12-11-18)15-5-7-16(8-6-15)20(23)24;1-2(3)4/h5-8,17,22H,4,9-14H2,1-3H3;1H3,(H,3,4)/q+1;/p-1