N',N'-diethyl-N-(2-methyl-3-phenylmethoxy-1-propyl-pyridin-1-ium-4-yl)ethane-1,2-diamine tetrafluoroborate

Systemtic Name: N',N'-diethyl-N-(2-methyl-3-phenylmethoxy-1-propyl-pyridin-1-ium-4-yl)ethane-1,2-diamine tetrafluoroborate Openeye Name: N-(3-benzyloxy-2-methyl-1-propyl-pyridin-1-ium-4-yl)-N',N'-diethyl-ethane-1,2-diamine tetrafluoroborate CAS Name: N',N'-diethyl-N-(2-methyl-3-phenylmethoxy-1-propyl-4-pyridin-1-iumyl)ethane-1,2-diamine tetrafluoroborate IUPAC Name: N',N'-diethyl-N-(2-methyl-3-phenylmethoxy-1-propylpyridin-1-ium-4-yl)ethane-1,2-diamine tetrafluoroborate Traditional Name: 2-[(3-benzoxy-2-methyl-1-propyl-pyridin-1-ium-4-yl)amino]ethyl-diethyl-amine tetrafluoroborate Formula: C22H34BF4N3O MolecularWeight: 443.329473

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC[N+]1=C(C(=C(C=C1)NCCN(CC)CC)OCC2=CC=CC=C2)C

Isomeric SMILES

[B-](F)(F)(F)F.CCC[N+]1=C(C(=C(C=C1)NCCN(CC)CC)OCC2=CC=CC=C2)C

InChI

InChI=1S/C22H33N3O.BF4/c1-5-15-25-16-13-21(23-14-17-24(6-2)7-3)22(19(25)4)26-18-20-11-9-8-10-12-20;2-1(3,4)5/h8-13,16H,5-7,14-15,17-18H2,1-4H3;/q;-1/p+1