1-[(5-methylthiophen-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-methylthiophen-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-methyl-2-thienyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-methyl-2-thiophenyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-methylthiophen-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-methyl-2-thienyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C21H24N3OS2+ MolecularWeight: 398.56476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

InChI=1S/C21H23N3OS2/c1-15-5-6-19(27-15)12-24-9-7-16(8-10-24)21(25)23-18-4-2-3-17(11-18)20-13-26-14-22-20/h2-6,11,13-14,16H,7-10,12H2,1H3,(H,23,25)/p+1