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

Systemtic Name: 4-(cyclohexylmethyl)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclohexylmethyl)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclohexylmethyl)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclohexylmethyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclohexylmethyl)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C20H35N4O+ MolecularWeight: 347.5181

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(=O)N(CC2)CC3CCCCC3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(=O)N(CC2)CC3CCCCC3)C

InChI

InChI=1S/C20H34N4O/c1-4-24-17(3)19(16(2)21-24)15-22-11-10-20(25)23(13-12-22)14-18-8-6-5-7-9-18/h18H,4-15H2,1-3H3/p+1