1-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: 1-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: 1-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: 1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: 1-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-18-7-8-22(29)21(15-18)24(31)19-16-25-28(17-19)23(30)9-10-26-11-13-27(14-12-26)20-5-3-2-4-6-20/h2-8,15-17,29H,9-14H2,1H3/p+1