bis[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium

Systemtic Name: bis[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium Openeye Name: bis[2-(3,4-dimethylanilino)-2-oxo-ethyl]-isopentyl-ammonium CAS Name: bis[2-(3,4-dimethylanilino)-2-oxoethyl]-(3-methylbutyl)ammonium IUPAC Name: bis[2-(3,4-dimethylanilino)-2-oxoethyl]-(3-methylbutyl)azanium Traditional Name: bis[2-(3,4-dimethylanilino)-2-keto-ethyl]-isoamyl-ammonium Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](CCC(C)C)CC(=O)NC2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](CCC(C)C)CC(=O)NC2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C25H35N3O2/c1-17(2)11-12-28(15-24(29)26-22-9-7-18(3)20(5)13-22)16-25(30)27-23-10-8-19(4)21(6)14-23/h7-10,13-14,17H,11-12,15-16H2,1-6H3,(H,26,29)(H,27,30)/p+1