4,5-dimethyl-2-phenyl-[1,3]thiazolo[3,2-a]quinoxalin-3-ium-1-one perchlorate

Systemtic Name: 4,5-dimethyl-2-phenyl-[1,3]thiazolo[3,2-a]quinoxalin-3-ium-1-one perchlorate Openeye Name: 4,5-dimethyl-2-phenyl-thiazolo[3,2-a]quinoxalin-3-ium-1-one perchlorate CAS Name: 4,5-dimethyl-2-phenyl-1-thiazolo[3,2-a]quinoxalin-3-iumone perchlorate IUPAC Name: 4,5-dimethyl-2-phenyl-[1,3]thiazolo[3,2-a]quinoxalin-3-ium-1-one perchlorate Traditional Name: 4,5-dimethyl-2-phenyl-thiazolo[3,2-a]quinoxalin-3-ium-1-one perchlorate Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N(C3=CC=CC=C3N1C)C(=O)C(=[S+]2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2N(C3=CC=CC=C3N1C)C(=O)C(=[S+]2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H15N2OS.ClHO4/c1-12-18-20(15-11-7-6-10-14(15)19(12)2)17(21)16(22-18)13-8-4-3-5-9-13;2-1(3,4)5/h3-11H,1-2H3;(H,2,3,4,5)/q+1;/p-1