1-(1,4-diazepan-4-ium-1-yl)-3-pyrazol-1-yl-propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-pyrazol-1-yl-propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-pyrazol-1-yl-propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-pyrazol-1-ylpropan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-pyrazol-1-yl-propan-1-one Formula: C11H19N4O+ MolecularWeight: 223.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCN2C=CC=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCN2C=CC=N2

InChI

InChI=1S/C11H18N4O/c16-11(3-9-15-8-2-5-13-15)14-7-1-4-12-6-10-14/h2,5,8,12H,1,3-4,6-7,9-10H2/p+1