1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-yl-ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-yl-ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(1-pyrazolyl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-ylethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-yl-ethanone Formula: C10H17N4O+ MolecularWeight: 209.26818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CN2C=CC=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CN2C=CC=N2

InChI

InChI=1S/C10H16N4O/c15-10(9-14-7-2-4-12-14)13-6-1-3-11-5-8-13/h2,4,7,11H,1,3,5-6,8-9H2/p+1