1-methyl-4-(6-nitropyridin-3-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(6-nitropyridin-3-yl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(6-nitro-3-pyridyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(6-nitro-3-pyridinyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(6-nitropyridin-3-yl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(6-nitro-3-pyridyl)-1,4-diazepan-1-ium Formula: C11H17N4O2+ MolecularWeight: 237.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O2/c1-13-5-2-6-14(8-7-13)10-3-4-11(12-9-10)15(16)17/h3-4,9H,2,5-8H2,1H3/p+1