1,4-diazepan-4-ium-1-yl-(1-methylpyrazol-4-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(1-methylpyrazol-4-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(1-methylpyrazol-4-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(1-methyl-4-pyrazolyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(1-methylpyrazol-4-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(1-methylpyrazol-4-yl)methanone Formula: C10H17N4O+ MolecularWeight: 209.26818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C10H16N4O/c1-13-8-9(7-12-13)10(15)14-5-2-3-11-4-6-14/h7-8,11H,2-6H2,1H3/p+1