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

Systemtic Name: 1-(pyridin-3-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(3-pyridylmethyl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(3-pyridinylmethyl)-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(pyridin-3-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-pyridylmethyl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CC4=CN=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-21(24-19-5-1-4-18(11-19)20-14-27-15-23-20)17-6-9-25(10-7-17)13-16-3-2-8-22-12-16/h1-5,8,11-12,14-15,17H,6-7,9-10,13H2,(H,24,26)/p+1