N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C20H29ClN3O4+ MolecularWeight: 410.91496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCC3)OC)Cl

InChI

InChI=1S/C20H28ClN3O4/c1-27-17-12-16(18(28-2)11-15(17)21)22-19(25)13-23-9-5-14(6-10-23)20(26)24-7-3-4-8-24/h11-12,14H,3-10,13H2,1-2H3,(H,22,25)/p+1