1-[2-(5-methyl-2-nitro-phenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(5-methyl-2-nitrophenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(5-methyl-2-nitrophenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]azepan-1-ium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC[NH+]2CCCCCC2

InChI

InChI=1S/C15H22N2O3/c1-13-6-7-14(17(18)19)15(12-13)20-11-10-16-8-4-2-3-5-9-16/h6-7,12H,2-5,8-11H2,1H3/p+1