1,4-diazepan-4-ium-1-yl-(1-methyl-4-nitro-pyrrol-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(1-methyl-4-nitro-pyrrol-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(1-methyl-4-nitro-pyrrol-2-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(1-methyl-4-nitro-2-pyrrolyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(1-methyl-4-nitropyrrol-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(1-methyl-4-nitro-pyrrol-2-yl)methanone Formula: C11H17N4O3+ MolecularWeight: 253.27768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O3/c1-13-8-9(15(17)18)7-10(13)11(16)14-5-2-3-12-4-6-14/h7-8,12H,2-6H2,1H3/p+1