3-(dimethylazaniumyl)propyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: 3-(dimethylammonio)propyl-[(2-ethylbenzofuran-3-yl)methyl]-(2-pyridylmethyl)ammonium CAS Name: 3-(dimethylammonio)propyl-[(2-ethyl-3-benzofuranyl)methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-(pyridin-2-ylmethyl)azanium Traditional Name: 3-(dimethylammonio)propyl-[(2-ethylbenzofuran-3-yl)methyl]-(2-pyridylmethyl)ammonium Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](CCC[NH+](C)C)CC3=CC=CC=N3

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](CCC[NH+](C)C)CC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O/c1-4-21-20(19-11-5-6-12-22(19)26-21)17-25(15-9-14-24(2)3)16-18-10-7-8-13-23-18/h5-8,10-13H,4,9,14-17H2,1-3H3/p+2