(E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-isopropylphenyl)prop-2-en-1-one CAS Name: (E)-1-(4-ethyl-1-piperazin-4-iumyl)-3-(4-propan-2-ylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-p-cumenyl-prop-2-en-1-one Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H26N2O/c1-4-19-11-13-20(14-12-19)18(21)10-7-16-5-8-17(9-6-16)15(2)3/h5-10,15H,4,11-14H2,1-3H3/p+1/b10-7+