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

Systemtic Name: [3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-dimethyl-[3-(4-nitrooxybutanoylamino)propyl]azanium Openeye Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-dimethyl-[3-(4-nitrooxybutanoylamino)propyl]ammonium CAS Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-dimethyl-[3-[(4-nitrooxy-1-oxobutyl)amino]propyl]ammonium IUPAC Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-dimethyl-[3-(4-nitrooxybutanoylamino)propyl]azanium Traditional Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-dimethyl-[3-(4-nitrooxybutanoylamino)propyl]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)CCCNC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(C[N+](C)(C)CCCNC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C19H30ClN3O6/c1-15-7-8-17(20)18(12-15)28-14-16(24)13-23(2,3)10-5-9-21-19(25)6-4-11-29-22(26)27/h7-8,12,16,24H,4-6,9-11,13-14H2,1-3H3/p+1