[3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-[2-[(2-nitrooxycyclohexyl)oxycarbonylamino]ethyl]azanium

Systemtic Name: [3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-[2-[(2-nitrooxycyclohexyl)oxycarbonylamino]ethyl]azanium Openeye Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-[(2-nitrooxycyclohexoxy)carbonylamino]ethyl]ammonium CAS Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-[[(2-nitrooxycyclohexyl)oxy-oxomethyl]amino]ethyl]ammonium IUPAC Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-[(2-nitrooxycyclohexyl)oxycarbonylamino]ethyl]azanium Traditional Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-[(2-nitrooxycyclohexoxy)carbonylamino]ethyl]ammonium Formula: C21H31N4O7+ MolecularWeight: 451.49344

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)OC1CCCCC1O[N+](=O)[O-])CC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

C[N+](C)(CCNC(=O)OC1CCCCC1O[N+](=O)[O-])CC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C21H30N4O7/c1-25(2,14-17(26)15-30-18-8-4-3-7-16(18)13-22)12-11-23-21(27)31-19-9-5-6-10-20(19)32-24(28)29/h3-4,7-8,17,19-20,26H,5-6,9-12,14-15H2,1-2H3/p+1