3-methylbutyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: 3-methylbutyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: isopentyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: 3-methylbutyl-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: 3-methylbutyl-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: isoamyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C)[NH2+]CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O2/c1-10(2)7-8-15-12(4)13-6-5-11(3)14(9-13)16(17)18/h5-6,9-10,12,15H,7-8H2,1-4H3/p+1/t12-/m1/s1