1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-isobutyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-isobutyl-1,4-diazepan-1-ium-5-one Formula: C17H31N4O+ MolecularWeight: 307.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(=O)N(CC2)CC(C)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(=O)N(CC2)CC(C)C)C

InChI

InChI=1S/C17H30N4O/c1-6-21-15(5)16(14(4)18-21)12-19-8-7-17(22)20(10-9-19)11-13(2)3/h13H,6-12H2,1-5H3/p+1