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1-methyl-1-[3-(4-nitrophenoxy)propyl]azepan-1-ium

1-methyl-1-[3-(4-nitrophenoxy)propyl]azepan-1-ium

Systemtic Name:1-methyl-1-[3-(4-nitrophenoxy)propyl]azepan-1-ium
Openeye Name:1-methyl-1-[3-(4-nitrophenoxy)propyl]azepan-1-ium
CAS Name:1-methyl-1-[3-(4-nitrophenoxy)propyl]azepan-1-ium
IUPAC Name:1-methyl-1-[3-(4-nitrophenoxy)propyl]azepan-1-ium
Traditional Name:1-methyl-1-[3-(4-nitrophenoxy)propyl]azepan-1-ium
Formula: C16H25N2O3+
MolecularWeight: 293.3813
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCCOC2=CC=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

C[N+]1(CCCCCC1)CCCOC2=CC=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C16H25N2O3/c1-18(11-4-2-3-5-12-18)13-6-14-21-16-9-7-15(8-10-16)17(19)20/h7-10H,2-6,11-14H2,1H3/q+1


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