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

Systemtic Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium-2-amine Openeye Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium-2-amine CAS Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium-2-amine IUPAC Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-3-ium-2-amine Traditional Name: [(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-(2-imidazolin-1-ium-2-yl)amine Formula: C17H18N3S+ MolecularWeight: 296.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)NC2C3=CC=CC=C3CSC4=CC=CC=C24

Isomeric SMILES

C1C[NH+]=C(N1)N[C@H]2C3=CC=CC=C3CSC4=CC=CC=C24

InChI

InChI=1S/C17H17N3S/c1-2-6-13-12(5-1)11-21-15-8-4-3-7-14(15)16(13)20-17-18-9-10-19-17/h1-8,16H,9-11H2,(H2,18,19,20)/p+1/t16-/m0/s1