[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(oxan-4-ylmethyl)azanium

Systemtic Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(oxan-4-ylmethyl)azanium Openeye Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl-(4-oxanylmethyl)ammonium IUPAC Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(oxan-4-ylmethyl)azanium Traditional Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]CC4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]CC4CCOCC4

InChI

InChI=1S/C23H26ClN3O2/c1-28-20-8-6-19(7-9-20)27-16-18(15-25-14-17-10-12-29-13-11-17)23(26-27)21-4-2-3-5-22(21)24/h2-9,16-17,25H,10-15H2,1H3/p+1