(4-tert-butylphenyl)-[3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-pyrazolyl]methanone IUPAC Name: (4-tert-butylphenyl)-[3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazol-1-yl]methanone Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C=CC(=N2)C3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C=CC(=N2)C3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H30N4O/c1-25(2,3)21-9-5-20(6-10-21)24(30)29-14-13-23(26-29)19-7-11-22(12-8-19)28-17-15-27(4)16-18-28/h5-14H,15-18H2,1-4H3/p+1