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

Systemtic Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide perchlorate Openeye Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide perchlorate CAS Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide perchlorate IUPAC Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide perchlorate Traditional Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide perchlorate Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CN(C3=CC=CC=C3)C(=O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H19N2OS.ClHO4/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16;2-1(3,4)5/h4-14H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1