1,4-diazepan-4-ium-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(1,3,5-trimethyl-4-pyrazolyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone Formula: C12H21N4O+ MolecularWeight: 237.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C12H20N4O/c1-9-11(10(2)15(3)14-9)12(17)16-7-4-5-13-6-8-16/h13H,4-8H2,1-3H3/p+1