2-methyl-4-(3-oxidanylpropylamino)-1-phenethyl-pyridin-1-ium-3-ol tetrafluoroborate

Systemtic Name: 2-methyl-4-(3-oxidanylpropylamino)-1-phenethyl-pyridin-1-ium-3-ol tetrafluoroborate Openeye Name: 4-(3-hydroxypropylamino)-2-methyl-1-phenethyl-pyridin-1-ium-3-ol tetrafluoroborate CAS Name: 4-(3-hydroxypropylamino)-2-methyl-1-phenethyl-3-pyridin-1-iumol tetrafluoroborate IUPAC Name: 4-(3-hydroxypropylamino)-2-methyl-1-phenethylpyridin-1-ium-3-ol tetrafluoroborate Traditional Name: 4-(3-hydroxypropylamino)-2-methyl-1-phenethyl-pyridin-1-ium-3-ol tetrafluoroborate Formula: C17H23BF4N2O2 MolecularWeight: 374.181333

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=[N+](C=CC(=C1O)NCCCO)CCC2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CC1=[N+](C=CC(=C1O)NCCCO)CCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2.BF4/c1-14-17(21)16(18-10-5-13-20)9-12-19(14)11-8-15-6-3-2-4-7-15;2-1(3,4)5/h2-4,6-7,9,12,20-21H,5,8,10-11,13H2,1H3;/q;-1/p+1