(3-chloranyl-4-methoxy-phenyl)methyl-(2-piperazin-4-ium-1-ylethyl)azanium

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-(2-piperazin-4-ium-1-ylethyl)azanium Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-(2-piperazin-4-ium-1-ylethyl)ammonium CAS Name: (3-chloro-4-methoxyphenyl)methyl-[2-(1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-(2-piperazin-4-ium-1-ylethyl)azanium Traditional Name: (3-chloro-4-methoxy-benzyl)-(2-piperazin-4-ium-1-ylethyl)ammonium Formula: C14H24ClN3O+2 MolecularWeight: 285.81286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCN2CC[NH2+]CC2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCN2CC[NH2+]CC2)Cl

InChI

InChI=1S/C14H22ClN3O/c1-19-14-3-2-12(10-13(14)15)11-17-6-9-18-7-4-16-5-8-18/h2-3,10,16-17H,4-9,11H2,1H3/p+2