N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C20H30ClN4O4+ MolecularWeight: 425.9296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)OC

InChI

InChI=1S/C20H29ClN4O4/c1-28-17-12-18(29-2)16(11-15(17)21)22-19(26)13-23-7-9-24(10-8-23)14-20(27)25-5-3-4-6-25/h11-12H,3-10,13-14H2,1-2H3,(H,22,26)/p+1