[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(2,5-dimethylanilino)-3-oxo-propyl]-ethyl-ammonium CAS Name: [3-(2,5-dimethylanilino)-3-oxopropyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(2,5-dimethylanilino)-3-oxopropyl]-ethylazanium Traditional Name: benzyl-[3-(2,5-dimethylanilino)-3-keto-propyl]-ethyl-ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)NC1=C(C=CC(=C1)C)C)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCC(=O)NC1=C(C=CC(=C1)C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O/c1-4-22(15-18-8-6-5-7-9-18)13-12-20(23)21-19-14-16(2)10-11-17(19)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)/p+1