[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C19H23ClN3O3+ MolecularWeight: 376.85722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3/c1-13(2)15-6-4-14(5-7-15)11-22(3)12-19(24)21-18-9-8-16(23(25)26)10-17(18)20/h4-10,13H,11-12H2,1-3H3,(H,21,24)/p+1