2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]ethyl-dimethyl-[2-oxidanyl-3-(2-prop-2-enoxyphenoxy)propyl]azanium

Systemtic Name: 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]ethyl-dimethyl-[2-oxidanyl-3-(2-prop-2-enoxyphenoxy)propyl]azanium Openeye Name: [3-(2-allyloxyphenoxy)-2-hydroxy-propyl]-[2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]ethyl]-dimethyl-ammonium CAS Name: 2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]ethyl-[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-dimethylammonium IUPAC Name: 2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]ethyl-[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-dimethylazanium Traditional Name: [3-(2-allyloxyphenoxy)-2-hydroxy-propyl]-[2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]ethyl]-dimethyl-ammonium Formula: C21H34N3O7+ MolecularWeight: 440.51056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO[N+](=O)[O-])C(=O)NCC[N+](C)(C)CC(COC1=CC=CC=C1OCC=C)O

Isomeric SMILES

CC(C)(CO[N+](=O)[O-])C(=O)NCC[N+](C)(C)CC(COC1=CC=CC=C1OCC=C)O

InChI

InChI=1S/C21H33N3O7/c1-6-13-29-18-9-7-8-10-19(18)30-15-17(25)14-24(4,5)12-11-22-20(26)21(2,3)16-31-23(27)28/h6-10,17,25H,1,11-16H2,2-5H3/p+1