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

Systemtic Name: [3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]azanium Openeye Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-dimethyl-[2-[(3-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]ammonium Formula: C18H29ClN3O6+ MolecularWeight: 418.89236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3O6/c1-13-5-6-16(19)17(9-13)27-12-15(23)11-22(3,4)8-7-20-18(24)10-14(2)28-21(25)26/h5-6,9,14-15,23H,7-8,10-12H2,1-4H3/p+1