3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide

Systemtic Name: 3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide CAS Name: 3-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propionamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O3S/c1-16(25)21-12-18(15-28-21)14-24-10-8-17(9-11-24)6-7-22(26)23-19-4-3-5-20(13-19)27-2/h3-5,12-13,15,17H,6-11,14H2,1-2H3,(H,23,26)/p+1