4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCCN(CC4)C=O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCCN(CC4)C=O

InChI

InChI=1S/C23H32N4O/c1-25-16-22(17-26-12-5-13-27(18-28)15-14-26)23(24-25)21-10-8-20(9-11-21)19-6-3-2-4-7-19/h8-11,16,18-19H,2-7,12-15,17H2,1H3/p+1