1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(6-methyl-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C27H31N5O+2 MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c1-21-8-6-13-26(28-21)31-16-14-30(15-17-31)19-23-20-32(24-10-4-3-5-11-24)29-27(23)22-9-7-12-25(18-22)33-2/h3-13,18,20H,14-17,19H2,1-2H3/p+2