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

Systemtic Name: N-[2-[(2-methyl-1-phenethyl-3-phenylmethoxy-pyridin-1-ium-4-yl)amino]ethyl]ethanamide tetrafluoroborate Openeye Name: N-[2-[(3-benzyloxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]acetamide tetrafluoroborate CAS Name: N-[2-[(2-methyl-1-phenethyl-3-phenylmethoxy-4-pyridin-1-iumyl)amino]ethyl]acetamide tetrafluoroborate IUPAC Name: N-[2-[(2-methyl-1-phenethyl-3-phenylmethoxypyridin-1-ium-4-yl)amino]ethyl]acetamide tetrafluoroborate Traditional Name: N-[2-[(3-benzoxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]acetamide tetrafluoroborate Formula: C25H30BF4N3O2 MolecularWeight: 491.329213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2.BF4/c1-20-25(30-19-23-11-7-4-8-12-23)24(27-16-15-26-21(2)29)14-18-28(20)17-13-22-9-5-3-6-10-22;2-1(3,4)5/h3-12,14,18H,13,15-17,19H2,1-2H3,(H,26,29);/q;-1/p+1