[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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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=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-14(2)17-8-6-16(7-9-17)13-23(4)15(3)21(25)22-19-12-18(24(26)27)10-11-20(19)28-5/h6-12,14-15H,13H2,1-5H3,(H,22,25)/p+1/t15-/m1/s1