N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzamide perchlorate

Systemtic Name: N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzamide perchlorate Openeye Name: N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzamide perchlorate CAS Name: N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzamide perchlorate IUPAC Name: N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzamide perchlorate Traditional Name: N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzamide perchlorate Formula: C14H15ClN2O5S MolecularWeight: 358.7973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=[N+](S2)NC(=O)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC2=C(C1)C=[N+](S2)NC(=O)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H14N2OS.ClHO4/c17-14(11-6-2-1-3-7-11)15-16-10-12-8-4-5-9-13(12)18-16;2-1(3,4)5/h1-3,6-7,10H,4-5,8-9H2;(H,2,3,4,5)