[4-[[2-(4-acetamidophenyl)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[2-(4-acetamidophenyl)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-(4-acetamidophenyl)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H29N3O2/c1-4-25(5-2)16-20-8-6-19(7-9-20)15-23-22(27)14-18-10-12-21(13-11-18)24-17(3)26/h6-13H,4-5,14-16H2,1-3H3,(H,23,27)(H,24,26)/p+1