1-methyl-2-[(4-phenyl-1,3-dithiol-2-ylidene)methyl]quinolin-1-ium perchlorate

Systemtic Name: 1-methyl-2-[(4-phenyl-1,3-dithiol-2-ylidene)methyl]quinolin-1-ium perchlorate Openeye Name: 1-methyl-2-[(4-phenyl-1,3-dithiol-2-ylidene)methyl]quinolin-1-ium perchlorate CAS Name: 1-methyl-2-[(4-phenyl-1,3-dithiol-2-ylidene)methyl]quinolin-1-ium perchlorate IUPAC Name: 1-methyl-2-[(4-phenyl-1,3-dithiol-2-ylidene)methyl]quinolin-1-ium perchlorate Traditional Name: 1-methyl-2-[(4-phenyl-1,3-dithiol-2-ylidene)methyl]quinolin-1-ium perchlorate Formula: C20H16ClNO4S2 MolecularWeight: 433.92834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C3SC=C(S3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)C=C3SC=C(S3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H16NS2.ClHO4/c1-21-17(12-11-15-7-5-6-10-18(15)21)13-20-22-14-19(23-20)16-8-3-2-4-9-16;2-1(3,4)5/h2-14H,1H3;(H,2,3,4,5)/q+1;/p-1