(4-tert-butylphenyl)methyl-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-methyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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