(4-tert-butylphenyl)methyl-[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-(3,5-dicarbamoylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-(3,5-dicarbamoylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-(3,5-dicarbamoylanilino)-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-(3,5-dicarbamoylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)17-7-5-14(6-8-17)12-26(4)13-19(27)25-18-10-15(20(23)28)9-16(11-18)21(24)29/h5-11H,12-13H2,1-4H3,(H2,23,28)(H2,24,29)(H,25,27)/p+1