4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride

Systemtic Name: 4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride Openeye Name: 4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride CAS Name: 4-(1-pyrrolidin-1-iumyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone chloride IUPAC Name: 4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride Traditional Name: 4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride Formula: C17H26ClNO4 MolecularWeight: 343.84564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C(=O)CCC[NH+]2CCCC2)OC.[Cl-]

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C(=O)CCC[NH+]2CCCC2)OC.[Cl-]

InChI

InChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H