(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-morpholin-4-ium-4-yl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCOCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O2S/c1-15(24-10-12-26-13-11-24)21(25)22-17-8-6-16(7-9-17)14-20-23-18-4-2-3-5-19(18)27-20/h2-9,15H,10-14H2,1H3,(H,22,25)/p+1/t15-/m1/s1