2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-(4-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-(4-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-(4-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]-N-[4-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-(4-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-[4-(methylthio)phenyl]acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3OS/c1-27-18-8-6-17(7-9-18)24-22(26)15-25-12-10-16(11-13-25)20-14-23-21-5-3-2-4-19(20)21/h2-9,14,16,23H,10-13,15H2,1H3,(H,24,26)/p+1