4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,5-dimethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(2,5-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C21H27ClN3O4+ MolecularWeight: 420.90978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O4/c1-27-17-5-7-20(29-3)18(13-17)23-21(26)25-10-8-24(9-11-25)14-15-12-16(22)4-6-19(15)28-2/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1