[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium

Systemtic Name: [3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Openeye Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethyl-[2-[(4-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium Formula: C18H30N3O7+ MolecularWeight: 400.4467

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC=C1OC)O

Isomeric SMILES

C[N+](C)(CCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC=C1OC)O

InChI

InChI=1S/C18H29N3O7/c1-21(2,11-10-19-18(23)9-6-12-28-20(24)25)13-15(22)14-27-17-8-5-4-7-16(17)26-3/h4-5,7-8,15,22H,6,9-14H2,1-3H3/p+1