3-imidazol-1-ylpropyl-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: 3-(1-imidazolyl)propyl-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)ammonium Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CCCN3C=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CCCN3C=CN=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O/c1-30-23-10-5-9-21(15-23)24-22(16-25-11-6-13-28-14-12-26-19-28)18-29(27-24)17-20-7-3-2-4-8-20/h2-5,7-10,12,14-15,18-19,25H,6,11,13,16-17H2,1H3/p+1