(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-1-(4-ethyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c1-2-26-15-17-27(18-16-26)23(29)14-13-21-19-28(22-11-7-4-8-12-22)25-24(21)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3/p+1/b14-13+