N-[3-methyl-2-[(E)-2-phenylazanylethenyl]-1,3-benzothiazol-3-ium-6-yl]ethanamide

Systemtic Name: N-[3-methyl-2-[(E)-2-phenylazanylethenyl]-1,3-benzothiazol-3-ium-6-yl]ethanamide Openeye Name: N-[2-[(E)-2-anilinovinyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]acetamide CAS Name: N-[2-[(E)-2-anilinoethenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]acetamide IUPAC Name: N-[2-[(E)-2-anilinoethenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]acetamide Traditional Name: N-[2-[(E)-2-anilinovinyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]acetamide Formula: C18H18N3OS+ MolecularWeight: 324.42002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)[N+](=C(S2)C=CNC3=CC=CC=C3)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)[N+](=C(S2)/C=C/NC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3OS/c1-13(22)20-15-8-9-16-17(12-15)23-18(21(16)2)10-11-19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,22)/p+1