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

Systemtic Name: 3-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-N-(2,4-dimethoxyphenyl)propionamide Formula: C21H28ClN2O3S+ MolecularWeight: 423.97662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=C(S3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=C(S3)Cl)OC

InChI

InChI=1S/C21H27ClN2O3S/c1-26-16-4-6-18(19(13-16)27-2)23-21(25)8-3-15-9-11-24(12-10-15)14-17-5-7-20(22)28-17/h4-7,13,15H,3,8-12,14H2,1-2H3,(H,23,25)/p+1