1-butyl-2,4-diphenyl-5,6-dihydro-[1]benzothiolo[3,2-h]quinolin-1-ium

Systemtic Name: 1-butyl-2,4-diphenyl-5,6-dihydro-[1]benzothiolo[3,2-h]quinolin-1-ium Openeye Name: 1-butyl-2,4-diphenyl-5,6-dihydrobenzothiopheno[3,2-h]quinolin-1-ium CAS Name: 1-butyl-2,4-diphenyl-5,6-dihydro-[1]benzothiolo[3,2-h]quinolin-1-ium IUPAC Name: 1-butyl-2,4-diphenyl-5,6-dihydro-[1]benzothiolo[3,2-h]quinolin-1-ium Traditional Name: 1-butyl-2,4-diphenyl-5,6-dihydrobenzothiopheno[3,2-h]quinolin-1-ium Formula: C31H28NS+ MolecularWeight: 446.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C2=C1C3=C(CC2)C4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCC[N+]1=C(C=C(C2=C1C3=C(CC2)C4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H28NS/c1-2-3-20-32-28(23-14-8-5-9-15-23)21-27(22-12-6-4-7-13-22)25-18-19-26-24-16-10-11-17-29(24)33-31(26)30(25)32/h4-17,21H,2-3,18-20H2,1H3/q+1