methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H25N3O3/c1-14(2)17-11-9-16(10-12-17)13-22(4)15(3)20(24)21-18-7-5-6-8-19(18)23(25)26/h5-12,14-15H,13H2,1-4H3,(H,21,24)/p+1/t15-/m1/s1