[3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-[2-[(4-nitrooxycyclohexyl)carbonylamino]ethyl]azanium

Systemtic Name: [3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-[2-[(4-nitrooxycyclohexyl)carbonylamino]ethyl]azanium Openeye Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-[(4-nitrooxycyclohexanecarbonyl)amino]ethyl]ammonium CAS Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-[[(4-nitrooxycyclohexyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-[(4-nitrooxycyclohexanecarbonyl)amino]ethyl]azanium Traditional Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-[(4-nitrooxycyclohexanecarbonyl)amino]ethyl]ammonium Formula: C21H31N4O6+ MolecularWeight: 435.49404

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)C1CCC(CC1)O[N+](=O)[O-])CC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

C[N+](C)(CCNC(=O)C1CCC(CC1)O[N+](=O)[O-])CC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C21H30N4O6/c1-25(2,14-18(26)15-30-20-6-4-3-5-17(20)13-22)12-11-23-21(27)16-7-9-19(10-8-16)31-24(28)29/h3-6,16,18-19,26H,7-12,14-15H2,1-2H3/p+1