[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]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=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-19-7-5-6-10-21(19)17-25-11-13-26(14-12-25)23(28)22-15-24-27(18-22)16-20-8-3-2-4-9-20/h2-10,15,18H,11-14,16-17H2,1H3/p+1