[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C19H31N5O+2 MolecularWeight: 345.48234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CC2=C(NN=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CC2=C(NN=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H29N5O/c1-23-10-12-24(13-11-23)9-3-8-20-14-17-15-21-22-19(17)16-4-6-18(25-2)7-5-16/h4-7,15,20H,3,8-14H2,1-2H3,(H,21,22)/p+2