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

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Formula: C22H26ClN4O+ MolecularWeight: 397.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4O/c1-17-21(22(23)27(24-17)18-7-4-3-5-8-18)16-25-11-13-26(14-12-25)19-9-6-10-20(15-19)28-2/h3-10,15H,11-14,16H2,1-2H3/p+1