(4-tert-butylphenyl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C22H29N3O3/c1-15-7-12-19(25(27)28)21(16(15)2)23-20(26)14-24(6)13-17-8-10-18(11-9-17)22(3,4)5/h7-12H,13-14H2,1-6H3,(H,23,26)/p+1