methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-(3-phenoxypropyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-(3-phenoxypropyl)azanium Openeye Name: methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(3-phenoxypropyl)ammonium CAS Name: methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(3-phenoxypropyl)ammonium IUPAC Name: methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(3-phenoxypropyl)azanium Traditional Name: (2-keto-2-mesidino-ethyl)-methyl-(3-phenoxypropyl)ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-16-13-17(2)21(18(3)14-16)22-20(24)15-23(4)11-8-12-25-19-9-6-5-7-10-19/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3,(H,22,24)/p+1