1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-methyl-piperazine-1,4-diium Formula: C16H23ClN4+2 MolecularWeight: 306.83362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CC[NH+](CC2)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CC[NH+](CC2)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H21ClN4/c1-13-15(12-20-10-8-19(2)9-11-20)16(17)21(18-13)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3/p+2