[5-(2,4-dimethoxyphenyl)-2-methyl-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(2,4-dimethoxyphenyl)-2-methyl-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(2,4-dimethoxyphenyl)-2-methyl-pyrazol-3-yl]methanone CAS Name: [5-(2,4-dimethoxyphenyl)-2-methyl-3-pyrazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(2,4-dimethoxyphenyl)-2-methylpyrazol-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(2,4-dimethoxyphenyl)-2-methyl-pyrazol-3-yl]methanone Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=C(C=C(C=C2)OC)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(=N1)C2=C(C=C(C=C2)OC)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-26-22(16-21(25-26)20-10-9-19(30-2)15-23(20)31-3)24(29)28-13-11-27(12-14-28)17-18-7-5-4-6-8-18/h4-10,15-16H,11-14,17H2,1-3H3/p+1