N-[2-[(2-methyl-3-oxidanyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]ethanamide tetrafluoroborate

Systemtic Name: N-[2-[(2-methyl-3-oxidanyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]ethanamide tetrafluoroborate Openeye Name: N-[2-[(3-hydroxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]acetamide tetrafluoroborate CAS Name: N-[2-[(3-hydroxy-2-methyl-1-phenethyl-4-pyridin-1-iumyl)amino]ethyl]acetamide tetrafluoroborate IUPAC Name: N-[2-[(3-hydroxy-2-methyl-1-phenethylpyridin-1-ium-4-yl)amino]ethyl]acetamide tetrafluoroborate Traditional Name: N-[2-[(3-hydroxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]acetamide tetrafluoroborate Formula: C18H24BF4N3O2 MolecularWeight: 401.206673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2.BF4/c1-14-18(23)17(20-11-10-19-15(2)22)9-13-21(14)12-8-16-6-4-3-5-7-16;2-1(3,4)5/h3-7,9,13H,8,10-12H2,1-2H3,(H2,19,22,23);/q;-1/p+1