[(2R)-1-[(4-aminocarbonyl-2-nitro-phenyl)amino]-3-methyl-butan-2-yl]-bis(prop-2-enyl)azanium

Systemtic Name: [(2R)-1-[(4-aminocarbonyl-2-nitro-phenyl)amino]-3-methyl-butan-2-yl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(1R)-1-[(4-carbamoyl-2-nitro-anilino)methyl]-2-methyl-propyl]ammonium CAS Name: [(2R)-1-(4-carbamoyl-2-nitroanilino)-3-methylbutan-2-yl]-bis(prop-2-enyl)ammonium IUPAC Name: [(2R)-1-(4-carbamoyl-2-nitroanilino)-3-methylbutan-2-yl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(1R)-1-[(4-carbamoyl-2-nitro-anilino)methyl]-2-methyl-propyl]ammonium Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])[NH+](CC=C)CC=C

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])[NH+](CC=C)CC=C

InChI

InChI=1S/C18H26N4O3/c1-5-9-21(10-6-2)17(13(3)4)12-20-15-8-7-14(18(19)23)11-16(15)22(24)25/h5-8,11,13,17,20H,1-2,9-10,12H2,3-4H3,(H2,19,23)/p+1/t17-/m0/s1