(2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-morpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-ium-4-yl-propionamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O2S/c1-14-3-8-18-19(13-14)27-21(23-18)16-4-6-17(7-5-16)22-20(25)15(2)24-9-11-26-12-10-24/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1