N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(3-thiazol-4-ylphenyl)-1-(2-thienylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(4-thiazolyl)phenyl]-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-thenyl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CC4=CC=CS4

InChI

InChI=1S/C20H21N3OS2/c24-20(15-6-8-23(9-7-15)12-18-5-2-10-26-18)22-17-4-1-3-16(11-17)19-13-25-14-21-19/h1-5,10-11,13-15H,6-9,12H2,(H,22,24)/p+1