(E)-3-(4-methoxy-2-oxidanyl-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxy-2-oxidanyl-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(2-hydroxy-4-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(2-hydroxy-4-methoxyphenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(2-hydroxy-4-methoxyphenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(2-hydroxy-4-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC(=O)N2CC[NH2+]CC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)N2CC[NH2+]CC2)O

InChI

InChI=1S/C14H18N2O3/c1-19-12-4-2-11(13(17)10-12)3-5-14(18)16-8-6-15-7-9-16/h2-5,10,15,17H,6-9H2,1H3/p+1/b5-3+