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

Systemtic Name: dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]-[2-oxidanyl-3-(2-prop-2-ynoxyphenoxy)propyl]azanium Openeye Name: [2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]-dimethyl-[2-[(4-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [2-hydroxy-3-(2-propargyloxyphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium Formula: C20H30N3O7+ MolecularWeight: 424.4681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O7/c1-4-13-28-18-8-5-6-9-19(18)29-16-17(24)15-23(2,3)12-11-21-20(25)10-7-14-30-22(26)27/h1,5-6,8-9,17,24H,7,10-16H2,2-3H3/p+1