3,5-ditert-butyl-N-(2,3-dimethyl-1,3-benzothiazol-3-ium-5-yl)benzamide perchlorate

Systemtic Name: 3,5-ditert-butyl-N-(2,3-dimethyl-1,3-benzothiazol-3-ium-5-yl)benzamide perchlorate Openeye Name: 3,5-ditert-butyl-N-(2,3-dimethyl-1,3-benzothiazol-3-ium-5-yl)benzamide perchlorate CAS Name: 3,5-ditert-butyl-N-(2,3-dimethyl-1,3-benzothiazol-3-ium-5-yl)benzamide perchlorate IUPAC Name: 3,5-ditert-butyl-N-(2,3-dimethyl-1,3-benzothiazol-3-ium-5-yl)benzamide perchlorate Traditional Name: 3,5-ditert-butyl-N-(2,3-dimethyl-1,3-benzothiazol-3-ium-5-yl)benzamide perchlorate Formula: C24H31ClN2O5S MolecularWeight: 495.03134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H30N2OS.ClHO4/c1-15-26(8)20-14-19(9-10-21(20)28-15)25-22(27)16-11-17(23(2,3)4)13-18(12-16)24(5,6)7;2-1(3,4)5/h9-14H,1-8H3;(H,2,3,4,5)