2-(3,4-dimethoxyphenyl)ethyl-[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-(2,5-dimethylanilino)-3-oxo-propyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-(2,5-dimethylanilino)-3-oxopropyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-(2,5-dimethylanilino)-3-oxopropyl]-methylazanium Traditional Name: [3-(2,5-dimethylanilino)-3-keto-propyl]-homoveratryl-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-16-6-7-17(2)19(14-16)23-22(25)11-13-24(3)12-10-18-8-9-20(26-4)21(15-18)27-5/h6-9,14-15H,10-13H2,1-5H3,(H,23,25)/p+1