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

Systemtic Name: 1-[5-(2-methoxy-4-nitro-phenoxy)pentyl]-1-methyl-piperidin-1-ium Openeye Name: 1-[5-(2-methoxy-4-nitro-phenoxy)pentyl]-1-methyl-piperidin-1-ium CAS Name: 1-[5-(2-methoxy-4-nitrophenoxy)pentyl]-1-methylpiperidin-1-ium IUPAC Name: 1-[5-(2-methoxy-4-nitrophenoxy)pentyl]-1-methylpiperidin-1-ium Traditional Name: 1-[5-(2-methoxy-4-nitro-phenoxy)pentyl]-1-methyl-piperidin-1-ium Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N2O4/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/h9-10,15H,3-8,11-14H2,1-2H3/q+1