2-oxidanidyl-2-(phenylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-h]isoquinolin-2-ium

Systemtic Name: 2-oxidanidyl-2-(phenylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-h]isoquinolin-2-ium Openeye Name: 2-benzyl-2-oxido-3,4-dihydro-1H-benzothiopheno[2,3-h]isoquinolin-2-ium CAS Name: 2-oxido-2-(phenylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-h]isoquinolin-2-ium IUPAC Name: 2-benzyl-2-oxido-3,4-dihydro-1H-[1]benzothiolo[2,3-h]isoquinolin-2-ium Traditional Name: 2-benzyl-2-oxido-3,4-dihydro-1H-benzothiophen[2,3-h]isoquinolin-2-ium Formula: C22H19NOS MolecularWeight: 345.45736

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC2=C1C=CC3=C2C4=CC=CC=C4S3)(CC5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[N+](CC2=C1C=CC3=C2C4=CC=CC=C4S3)(CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C22H19NOS/c24-23(14-16-6-2-1-3-7-16)13-12-17-10-11-21-22(19(17)15-23)18-8-4-5-9-20(18)25-21/h1-11H,12-15H2