(4-cyanophenyl)methyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-cyanophenyl)methyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-cyanophenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-cyanophenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]ammonium IUPAC Name: (4-cyanophenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium Traditional Name: (4-cyanobenzyl)-bis[2-(2,6-dimethylanilino)-2-keto-ethyl]ammonium Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=CC=C(C=C2)C#N)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=CC=C(C=C2)C#N)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C28H30N4O2/c1-19-7-5-8-20(2)27(19)30-25(33)17-32(16-24-13-11-23(15-29)12-14-24)18-26(34)31-28-21(3)9-6-10-22(28)4/h5-14H,16-18H2,1-4H3,(H,30,33)(H,31,34)/p+1