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

Systemtic Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CC[NH2+]CC2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH2+]CC2)OC

InChI

InChI=1S/C16H22N2O3/c1-3-21-14-6-4-13(12-15(14)20-2)5-7-16(19)18-10-8-17-9-11-18/h4-7,12,17H,3,8-11H2,1-2H3/p+1/b7-5+