2,4,6-trimethyl-1-phenoxathiin-2-yl-pyridin-1-ium perchlorate

Systemtic Name: 2,4,6-trimethyl-1-phenoxathiin-2-yl-pyridin-1-ium perchlorate Openeye Name: 2,4,6-trimethyl-1-phenoxathiin-2-yl-pyridin-1-ium perchlorate CAS Name: 2,4,6-trimethyl-1-(2-phenoxathiinyl)pyridin-1-ium perchlorate IUPAC Name: 2,4,6-trimethyl-1-phenoxathiin-2-ylpyridin-1-ium perchlorate Traditional Name: 2,4,6-trimethyl-1-phenoxathiin-2-yl-pyridin-1-ium perchlorate Formula: C20H18ClNO5S MolecularWeight: 419.87862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H18NOS.ClHO4/c1-13-10-14(2)21(15(3)11-13)16-8-9-18-20(12-16)23-19-7-5-4-6-17(19)22-18;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1