(3S)-N-(2-pyridin-3-yloxyphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-pyridin-3-yloxyphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(3-pyridyloxy)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(3-pyridinyloxy)phenyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-pyridin-3-yloxyphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(3-pyridyloxy)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC=CS2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC=CS2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-21(16-5-4-11-25(14-16)15-20-23-10-12-28-20)24-18-7-1-2-8-19(18)27-17-6-3-9-22-13-17/h1-3,6-10,12-13,16H,4-5,11,14-15H2,(H,24,26)/p+1/t16-/m0/s1