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

Systemtic Name: [3-(2-cyclopentylphenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Openeye Name: [3-(2-cyclopentylphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [3-(2-cyclopentylphenoxy)-2-hydroxypropyl]-dimethyl-[2-[(5-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: [3-(2-cyclopentylphenoxy)-2-hydroxypropyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [3-(2-cyclopentylphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium Formula: C23H38N3O6+ MolecularWeight: 452.56432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)CCCCO[N+](=O)[O-])CC(COC1=CC=CC=C1C2CCCC2)O

Isomeric SMILES

C[N+](C)(CCNC(=O)CCCCO[N+](=O)[O-])CC(COC1=CC=CC=C1C2CCCC2)O

InChI

InChI=1S/C23H37N3O6/c1-26(2,15-14-24-23(28)13-7-8-16-32-25(29)30)17-20(27)18-31-22-12-6-5-11-21(22)19-9-3-4-10-19/h5-6,11-12,19-20,27H,3-4,7-10,13-18H2,1-2H3/p+1