(2S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-2-morpholin-4-ium-4-yl-N-[4-(p-tolyl)thiazol-2-yl]propanamide CAS Name: (2S)-N-[4-(4-methylphenyl)-2-thiazolyl]-2-(4-morpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-2-morpholin-4-ium-4-yl-N-[4-(p-tolyl)thiazol-2-yl]propionamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)[NH+]3CCOCC3

InChI

InChI=1S/C17H21N3O2S/c1-12-3-5-14(6-4-12)15-11-23-17(18-15)19-16(21)13(2)20-7-9-22-10-8-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,19,21)/p+1/t13-/m0/s1