3-(5-chloranyl-2-ethoxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 3-(5-chloranyl-2-ethoxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 3-(5-chloro-2-ethoxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 3-(5-chloro-2-ethoxyphenyl)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(5-chloro-2-ethoxyphenyl)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 3-(5-chloro-2-ethoxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C15H22ClN2O2+ MolecularWeight: 297.80038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H21ClN2O2/c1-2-20-14-5-4-13(16)11-12(14)3-6-15(19)18-9-7-17-8-10-18/h4-5,11,17H,2-3,6-10H2,1H3/p+1