(2S)-2-(4-cyanophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: (2S)-2-(4-cyanophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Openeye Name: (2S)-2-(4-cyanophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]propanamide CAS Name: (2S)-2-(4-cyanophenoxy)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]propanamide IUPAC Name: (2S)-2-(4-cyanophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Traditional Name: (2S)-2-(4-cyanophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]propionamide Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C[NH+]2CCCCC2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C[NH+]2CCCCC2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H22N4O2S/c1-14(25-17-7-5-15(11-20)6-8-17)18(24)22-19-21-16(13-26-19)12-23-9-3-2-4-10-23/h5-8,13-14H,2-4,9-10,12H2,1H3,(H,21,22,24)/p+1/t14-/m0/s1