4-(4-methyl-2-nitro-phenoxy)butyl-prop-2-enyl-azanium

Systemtic Name: 4-(4-methyl-2-nitro-phenoxy)butyl-prop-2-enyl-azanium Openeye Name: allyl-[4-(4-methyl-2-nitro-phenoxy)butyl]ammonium CAS Name: 4-(4-methyl-2-nitrophenoxy)butyl-prop-2-enylammonium IUPAC Name: 4-(4-methyl-2-nitrophenoxy)butyl-prop-2-enylazanium Traditional Name: allyl-[4-(4-methyl-2-nitro-phenoxy)butyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-3-8-15-9-4-5-10-19-14-7-6-12(2)11-13(14)16(17)18/h3,6-7,11,15H,1,4-5,8-10H2,2H3/p+1