3-[2-(6-ethyl-1-benzofuran-3-yl)ethanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[2-(6-ethyl-1-benzofuran-3-yl)ethanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(6-ethylbenzofuran-3-yl)acetyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[2-(6-ethyl-3-benzofuranyl)-1-oxoethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(6-ethylbenzofuran-3-yl)acetyl]amino]propyl]-methyl-ammonium Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-3-18-10-11-21-20(17-27-22(21)14-18)15-23(26)24-12-7-13-25(2)16-19-8-5-4-6-9-19/h4-6,8-11,14,17H,3,7,12-13,15-16H2,1-2H3,(H,24,26)/p+1