bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-(3-phenoxypropyl)azanium

Systemtic Name: bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-(3-phenoxypropyl)azanium Openeye Name: bis[2-(2,6-dimethylanilino)-2-oxo-ethyl]-(3-phenoxypropyl)ammonium CAS Name: bis[2-(2,6-dimethylanilino)-2-oxoethyl]-(3-phenoxypropyl)ammonium IUPAC Name: bis[2-(2,6-dimethylanilino)-2-oxoethyl]-(3-phenoxypropyl)azanium Traditional Name: bis[2-(2,6-dimethylanilino)-2-keto-ethyl]-(3-phenoxypropyl)ammonium Formula: C29H36N3O3+ MolecularWeight: 474.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CCCOC2=CC=CC=C2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CCCOC2=CC=CC=C2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C29H35N3O3/c1-21-11-8-12-22(2)28(21)30-26(33)19-32(17-10-18-35-25-15-6-5-7-16-25)20-27(34)31-29-23(3)13-9-14-24(29)4/h5-9,11-16H,10,17-20H2,1-4H3,(H,30,33)(H,31,34)/p+1