N-(2-chlorophenyl)-3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Traditional Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propionamide Formula: C21H26ClN2O2S+ MolecularWeight: 405.96134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-15(25)20-12-17(14-27-20)13-24-10-8-16(9-11-24)6-7-21(26)23-19-5-3-2-4-18(19)22/h2-5,12,14,16H,6-11,13H2,1H3,(H,23,26)/p+1