1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O/c1-19-8-5-9-20(11-10-19)17(22)12-15-13-18-21(14-15)16-6-3-2-4-7-16/h2-4,6-7,13-14H,5,8-12H2,1H3/p+1