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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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