3-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-[1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-[1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propionamide Formula: C23H30ClN2O4+ MolecularWeight: 433.9483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O)OC

InChI

InChI=1S/C23H29ClN2O4/c1-29-19-5-6-20(22(14-19)30-2)25-23(28)8-3-16-9-11-26(12-10-16)15-17-13-18(24)4-7-21(17)27/h4-7,13-14,16,27H,3,8-12,15H2,1-2H3,(H,25,28)/p+1