(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(4-phenylpiperazino)ethyl]-methyl-ammonium Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O/c1-20-24(21(2)30(26-20)23-12-8-5-9-13-23)18-27(3)19-25(31)29-16-14-28(15-17-29)22-10-6-4-7-11-22/h4-13H,14-19H2,1-3H3/p+1