N-(3-chloranyl-4-methoxy-phenyl)-3-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 3-[(3R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 3-[(3R)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C22H28ClN2O3S+ MolecularWeight: 435.98732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)CCC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)CCC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H27ClN2O3S/c1-15(26)21-10-17(14-29-21)13-25-9-3-4-16(12-25)5-8-22(27)24-18-6-7-20(28-2)19(23)11-18/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,24,27)/p+1/t16-/m1/s1