(2Z)-2-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)azepan-1-ium

Systemtic Name: (2Z)-2-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)azepan-1-ium Openeye Name: (2Z)-2-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)azepan-1-ium CAS Name: (2Z)-2-[1-nitro-2-(1-piperidin-1-iumyl)ethylidene]azepan-1-ium IUPAC Name: (2Z)-2-(1-nitro-2-piperidin-1-ium-1-ylethylidene)azepan-1-ium Traditional Name: (2Z)-2-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)azepan-1-ium Formula: C13H25N3O2+2 MolecularWeight: 255.3565

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C[NH+]2CCCCC2)[N+](=O)[O-])[NH2+]CC1

Isomeric SMILES

C1CC/C(=C(\C[NH+]2CCCCC2)/[N+](=O)[O-])/[NH2+]CC1

InChI

InChI=1S/C13H23N3O2/c17-16(18)13(11-15-9-5-2-6-10-15)12-7-3-1-4-8-14-12/h14H,1-11H2/p+2/b13-12-