1-[(4-methylsulfanylphenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(methylthio)phenyl]methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-(methylthio)benzyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H26N3OS2+ MolecularWeight: 424.60204

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

InChI=1S/C23H25N3OS2/c1-28-21-7-5-17(6-8-21)14-26-11-9-18(10-12-26)23(27)25-20-4-2-3-19(13-20)22-15-29-16-24-22/h2-8,13,15-16,18H,9-12,14H2,1H3,(H,25,27)/p+1