2-[(11R)-2-bromanyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: 2-[(11R)-2-bromanyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-[(11R)-2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: 2-[(11R)-2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-[(11R)-2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-[(11R)-2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-imidazolin-1-ium Formula: C17H16BrN2S+ MolecularWeight: 360.29134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)C2C3=CC=CC=C3CSC4=C2C=C(C=C4)Br

Isomeric SMILES

C1C[NH+]=C(N1)[C@@H]2C3=CC=CC=C3CSC4=C2C=C(C=C4)Br

InChI

InChI=1S/C17H15BrN2S/c18-12-5-6-15-14(9-12)16(17-19-7-8-20-17)13-4-2-1-3-11(13)10-21-15/h1-6,9,16H,7-8,10H2,(H,19,20)/p+1/t16-/m1/s1