[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]azanium

Systemtic Name: [3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]azanium Openeye Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-dimethyl-[2-[(4-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]ammonium Formula: C19H31ClN3O6+ MolecularWeight: 432.91894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(C[N+](C)(C)CCNC(=O)CCC(C)O[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(C[N+](C)(C)CCNC(=O)CCC(C)O[N+](=O)[O-])O

InChI

InChI=1S/C19H30ClN3O6/c1-14-5-7-17(20)18(11-14)28-13-16(24)12-23(3,4)10-9-21-19(25)8-6-15(2)29-22(26)27/h5,7,11,15-16,24H,6,8-10,12-13H2,1-4H3/p+1