1-[2-(4-nitrophenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(4-nitrophenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(4-nitrophenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(4-nitrophenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(4-nitrophenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(4-nitrophenoxy)ethyl]azepan-1-ium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3/c17-16(18)13-5-7-14(8-6-13)19-12-11-15-9-3-1-2-4-10-15/h5-8H,1-4,9-12H2/p+1