1-methyl-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(3-nitro-2-pyridin-1-iumyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(3-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-ium Formula: C11H18N4O2+2 MolecularWeight: 238.28622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O2/c1-13-6-3-7-14(9-8-13)11-10(15(16)17)4-2-5-12-11/h2,4-5H,3,6-9H2,1H3/p+2