2-(3-chloranyl-4-methoxy-phenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(3-chloro-4-methoxyphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(3-chloro-4-methoxy-phenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C20H23ClN5O+ MolecularWeight: 384.88252

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC(=C(C=C2)OC)Cl)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC(=C(C=C2)OC)Cl)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C20H23ClN5O/c1-26(16-5-8-22-9-6-16)12-11-25(20-7-10-23-24-20)14-18(26)15-3-4-19(27-2)17(21)13-15/h3-10,13,18H,11-12,14H2,1-2H3,(H,23,24)/q+1