methyl-[(5-methylfuran-2-yl)methyl]-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: methyl-[(5-methyl-2-furyl)methyl]-[(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: methyl-[(5-methyl-2-furanyl)methyl]-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: methyl-[(5-methylfuran-2-yl)methyl]-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC=C(O3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC=C(O3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-15-9-12-19(20(13-15)25(27)28)23-22(26)21(17-7-5-4-6-8-17)24(3)14-18-11-10-16(2)29-18/h4-13,21H,14H2,1-3H3,(H,23,26)/p+1/t21-/m0/s1