1-[5-(2-methoxy-4-nitro-phenoxy)pentyl]-1-methyl-piperidin-1-ium tetrafluoroborate

Systemtic Name: 1-[5-(2-methoxy-4-nitro-phenoxy)pentyl]-1-methyl-piperidin-1-ium tetrafluoroborate Openeye Name: 1-[5-(2-methoxy-4-nitro-phenoxy)pentyl]-1-methyl-piperidin-1-ium tetrafluoroborate CAS Name: 1-[5-(2-methoxy-4-nitrophenoxy)pentyl]-1-methylpiperidin-1-ium tetrafluoroborate IUPAC Name: 1-[5-(2-methoxy-4-nitrophenoxy)pentyl]-1-methylpiperidin-1-ium tetrafluoroborate Traditional Name: 1-[5-(2-methoxy-4-nitro-phenoxy)pentyl]-1-methyl-piperidin-1-ium tetrafluoroborate Formula: C18H29BF4N2O4 MolecularWeight: 424.238473

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1(CCCCC1)CCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1(CCCCC1)CCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H29N2O4.BF4/c1-20(11-5-3-6-12-20)13-7-4-8-14-24-17-10-9-16(19(21)22)15-18(17)23-2;2-1(3,4)5/h9-10,15H,3-8,11-14H2,1-2H3;/q+1;-1