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

Systemtic Name: N-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine Openeye Name: N-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine CAS Name: N-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine IUPAC Name: N-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine Traditional Name: [(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methyl-(2-imidazolin-1-ium-2-yl)amine Formula: C18H20N3S+ MolecularWeight: 310.4365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)NCC2C3=CC=CC=C3CSC4=CC=CC=C24

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c1-2-6-14-13(5-1)12-22-17-8-4-3-7-15(17)16(14)11-21-18-19-9-10-20-18/h1-8,16H,9-12H2,(H2,19,20,21)/p+1/t16-/m0/s1