[3-[3-(4-cyanophenyl)propanoylamino]phenyl]methyl-diethyl-azanium

Systemtic Name: [3-[3-(4-cyanophenyl)propanoylamino]phenyl]methyl-diethyl-azanium Openeye Name: [3-[3-(4-cyanophenyl)propanoylamino]phenyl]methyl-diethyl-ammonium CAS Name: [3-[[3-(4-cyanophenyl)-1-oxopropyl]amino]phenyl]methyl-diethylammonium IUPAC Name: [3-[3-(4-cyanophenyl)propanoylamino]phenyl]methyl-diethylazanium Traditional Name: [3-[3-(4-cyanophenyl)propanoylamino]benzyl]-diethyl-ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O/c1-3-24(4-2)16-19-6-5-7-20(14-19)23-21(25)13-12-17-8-10-18(15-22)11-9-17/h5-11,14H,3-4,12-13,16H2,1-2H3,(H,23,25)/p+1