1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-4-cyclopentyl-piperazin-4-ium

Systemtic Name: 1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-4-cyclopentyl-piperazin-4-ium Openeye Name: 1-[(5-chloro-2,3-dimethoxy-phenyl)methyl]-4-cyclopentyl-piperazin-4-ium CAS Name: 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazin-4-ium IUPAC Name: 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazin-4-ium Traditional Name: 1-(5-chloro-2,3-dimethoxy-benzyl)-4-cyclopentyl-piperazin-4-ium Formula: C18H28ClN2O2+ MolecularWeight: 339.88012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)CN2CC[NH+](CC2)C3CCCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)CN2CC[NH+](CC2)C3CCCC3)OC

InChI

InChI=1S/C18H27ClN2O2/c1-22-17-12-15(19)11-14(18(17)23-2)13-20-7-9-21(10-8-20)16-5-3-4-6-16/h11-12,16H,3-10,13H2,1-2H3/p+1