3-(dimethylazaniumyl)propyl-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: 3-(dimethylammonio)propyl-[(3,5-dimethylbenzofuran-2-yl)methyl]-(2-pyridylmethyl)ammonium CAS Name: 3-(dimethylammonio)propyl-[(3,5-dimethyl-2-benzofuranyl)methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-(pyridin-2-ylmethyl)azanium Traditional Name: 3-(dimethylammonio)propyl-[(3,5-dimethylbenzofuran-2-yl)methyl]-(2-pyridylmethyl)ammonium Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C[NH+](CCC[NH+](C)C)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C[NH+](CCC[NH+](C)C)CC3=CC=CC=N3

InChI

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