dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]-[2-oxidanyl-3-(2-prop-2-enoxyphenoxy)propyl]azanium

Systemtic Name: dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]-[2-oxidanyl-3-(2-prop-2-enoxyphenoxy)propyl]azanium Openeye Name: [3-(2-allyloxyphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-dimethyl-[2-[(5-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [3-(2-allyloxyphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium Formula: C21H34N3O7+ MolecularWeight: 440.51056

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)CCCCO[N+](=O)[O-])CC(COC1=CC=CC=C1OCC=C)O

Isomeric SMILES

C[N+](C)(CCNC(=O)CCCCO[N+](=O)[O-])CC(COC1=CC=CC=C1OCC=C)O

InChI

InChI=1S/C21H33N3O7/c1-4-14-29-19-9-5-6-10-20(19)30-17-18(25)16-24(2,3)13-12-22-21(26)11-7-8-15-31-23(27)28/h4-6,9-10,18,25H,1,7-8,11-17H2,2-3H3/p+1