4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H26N4O/c1-4-20-10-12-21(13-11-20)14-17-15(2)19(3)22(18(17)23)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3/p+1