[4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[3-(1H-benzimidazol-2-yl)-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H28N4O/c1-3-26(4-2)16-18-11-9-17(10-12-18)15-23-22(27)14-13-21-24-19-7-5-6-8-20(19)25-21/h5-12H,3-4,13-16H2,1-2H3,(H,23,27)(H,24,25)/p+1