4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-2-one Formula: C12H16ClN2O2+ MolecularWeight: 255.72064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCNC(=O)C2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C12H15ClN2O2/c1-17-11-3-2-10(13)6-9(11)7-15-5-4-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,14,16)/p+1