[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-10(2)15(19)17-8-7-16-12(4)13-6-5-11(3)14(9-13)18(20)21/h5-6,9-10,12,16H,7-8H2,1-4H3,(H,17,19)/p+1/t12-/m1/s1