[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(1,3-diphenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N4CCCCCC4

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O/c1-27(20-24(30)28-16-10-2-3-11-17-28)18-22-19-29(23-14-8-5-9-15-23)26-25(22)21-12-6-4-7-13-21/h4-9,12-15,19H,2-3,10-11,16-18,20H2,1H3/p+1