1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-pyridylmethyl)piperazin-1-ium CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-(2-pyridinylmethyl)piperazin-1-ium IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-pyridylmethyl)piperazin-1-ium Formula: C21H25ClN5+ MolecularWeight: 382.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCN(CC2)CC3=CC=CC=N3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)CC3=CC=CC=N3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN5/c1-17-20(21(22)27(24-17)19-8-3-2-4-9-19)16-26-13-11-25(12-14-26)15-18-7-5-6-10-23-18/h2-10H,11-16H2,1H3/p+1