(E)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-prop-2-en-1-one Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-15-9-11-16(12-10-15)8-7-14(17)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3/p+1/b8-7+