4-(3-bromophenyl)-1-methyl-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 4-(3-bromophenyl)-1-methyl-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-piperazin-1-ium Openeye Name: 4-(3-bromophenyl)-1-methyl-1-(1H-pyrazol-5-yl)-2-(4-pyridyl)piperazin-1-ium CAS Name: 4-(3-bromophenyl)-1-methyl-1-(1H-pyrazol-5-yl)-2-pyridin-4-ylpiperazin-1-ium IUPAC Name: 4-(3-bromophenyl)-1-methyl-1-(1H-pyrazol-5-yl)-2-pyridin-4-ylpiperazin-1-ium Traditional Name: 4-(3-bromophenyl)-1-methyl-1-(1H-pyrazol-5-yl)-2-(4-pyridyl)piperazin-1-ium Formula: C19H21BrN5+ MolecularWeight: 399.30754

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC=NC=C2)C3=CC(=CC=C3)Br)C4=CC=NN4

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC=NC=C2)C3=CC(=CC=C3)Br)C4=CC=NN4

InChI

InChI=1S/C19H21BrN5/c1-25(19-7-10-22-23-19)12-11-24(17-4-2-3-16(20)13-17)14-18(25)15-5-8-21-9-6-15/h2-10,13,18H,11-12,14H2,1H3,(H,22,23)/q+1