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

Systemtic Name: 3-chloranyl-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-chloro-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-chloro-1-[4-(5-nitro-2-pyridin-1-iumyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-chloro-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-chloro-1-[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C13H18ClN4O3+ MolecularWeight: 313.76002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCl)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCl)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN4O3/c14-5-4-13(19)17-7-1-6-16(8-9-17)12-3-2-11(10-15-12)18(20)21/h2-3,10H,1,4-9H2/p+1