2,2-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-(5-nitro-2-pyridin-1-iumyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C15H23N4O3+ MolecularWeight: 307.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)N1CCCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O3/c1-15(2,3)14(20)18-8-4-7-17(9-10-18)13-6-5-12(11-16-13)19(21)22/h5-6,11H,4,7-10H2,1-3H3/p+1