(E)-3-(5-chloranyl-2-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-2-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-2-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(5-chloro-2-methoxyphenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-2-methoxyphenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(5-chloro-2-methoxy-phenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C14H18ClN2O2+ MolecularWeight: 281.75792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O2/c1-19-13-4-3-12(15)10-11(13)2-5-14(18)17-8-6-16-7-9-17/h2-5,10,16H,6-9H2,1H3/p+1/b5-2+