3-[(2-methyl-1-phenethyl-3-phenylmethoxy-pyridin-1-ium-4-yl)amino]propan-1-ol tetrafluoroborate

Systemtic Name: 3-[(2-methyl-1-phenethyl-3-phenylmethoxy-pyridin-1-ium-4-yl)amino]propan-1-ol tetrafluoroborate Openeye Name: 3-[(3-benzyloxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]propan-1-ol tetrafluoroborate CAS Name: 3-[(2-methyl-1-phenethyl-3-phenylmethoxy-4-pyridin-1-iumyl)amino]-1-propanol tetrafluoroborate IUPAC Name: 3-[(2-methyl-1-phenethyl-3-phenylmethoxypyridin-1-ium-4-yl)amino]propan-1-ol tetrafluoroborate Traditional Name: 3-[(3-benzoxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]propan-1-ol tetrafluoroborate Formula: C24H29BF4N2O2 MolecularWeight: 464.303873

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=[N+](C=CC(=C1OCC2=CC=CC=C2)NCCCO)CCC3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CC1=[N+](C=CC(=C1OCC2=CC=CC=C2)NCCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2.BF4/c1-20-24(28-19-22-11-6-3-7-12-22)23(25-15-8-18-27)14-17-26(20)16-13-21-9-4-2-5-10-21;2-1(3,4)5/h2-7,9-12,14,17,27H,8,13,15-16,18-19H2,1H3;/q;-1/p+1