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

Systemtic Name: [1-acetyloxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [1-acetoxy-2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethyl-ammonium CAS Name: [1-acetyloxy-2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethylammonium IUPAC Name: [1-acetyloxy-2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethylazanium Traditional Name: [1-acetoxy-2-hydroxy-3-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]propyl]-trimethyl-ammonium Formula: C19H31N4O5+ MolecularWeight: 395.47324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N4O5/c1-15(24)28-19(23(2,3)4)18(25)14-20-10-5-11-21(13-12-20)16-6-8-17(9-7-16)22(26)27/h6-9,18-19,25H,5,10-14H2,1-4H3/q+1