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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-(4-fluoroanilino)-3-oxo-propyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-(4-fluoroanilino)-3-oxopropyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-(4-fluoroanilino)-3-oxopropyl]-methylazanium Traditional Name: [3-(4-fluoroanilino)-3-keto-propyl]-homoveratryl-methyl-ammonium Formula: C20H26FN2O3+ MolecularWeight: 361.430443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C20H25FN2O3/c1-23(12-10-15-4-9-18(25-2)19(14-15)26-3)13-11-20(24)22-17-7-5-16(21)6-8-17/h4-9,14H,10-13H2,1-3H3,(H,22,24)/p+1