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

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-19-23(20(2)28(25-19)18-22-11-7-4-8-12-22)24(29)27-15-13-26(14-16-27)17-21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3/p+1