[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Openeye Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[4-(5-methyl-1-pyrazolyl)phenyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

InChI

InChI=1S/C23H26N4O/c1-18-5-3-4-6-21(18)17-25-13-15-26(16-14-25)23(28)20-7-9-22(10-8-20)27-19(2)11-12-24-27/h3-12H,13-17H2,1-2H3/p+1