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

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-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=C3OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3OC)Cl)C4=CC=CC=C4

InChI

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