N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide perchlorate

Systemtic Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide perchlorate Openeye Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide perchlorate CAS Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide perchlorate IUPAC Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide perchlorate Traditional Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide perchlorate Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=CC1=[N+](C2=CC=CC=C2S1)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)N(/C=C/C1=[N+](C2=CC=CC=C2S1)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H17N2OS.ClHO4/c1-14(21)20(15-8-4-3-5-9-15)13-12-18-19(2)16-10-6-7-11-17(16)22-18;2-1(3,4)5/h3-13H,1-2H3;(H,2,3,4,5)/q+1;/p-1