(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-methylthiazol-5-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-methyl-5-thiazolyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-methylthiazol-5-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16-24-13-19(29-16)15-26-11-5-6-17(14-26)22(27)25-20-8-2-3-9-21(20)28-18-7-4-10-23-12-18/h2-4,7-10,12-13,17H,5-6,11,14-15H2,1H3,(H,25,27)/p+1/t17-/m0/s1