3-(4-methyl-2-nitro-phenoxy)propyl-prop-2-enyl-azanium

Systemtic Name: 3-(4-methyl-2-nitro-phenoxy)propyl-prop-2-enyl-azanium Openeye Name: allyl-[3-(4-methyl-2-nitro-phenoxy)propyl]ammonium CAS Name: 3-(4-methyl-2-nitrophenoxy)propyl-prop-2-enylammonium IUPAC Name: 3-(4-methyl-2-nitrophenoxy)propyl-prop-2-enylazanium Traditional Name: allyl-[3-(4-methyl-2-nitro-phenoxy)propyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC[NH2+]CC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC[NH2+]CC=C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-3-7-14-8-4-9-18-13-6-5-11(2)10-12(13)15(16)17/h3,5-6,10,14H,1,4,7-9H2,2H3/p+1