N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C20H23N2O2S+ MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2C3=CC=CC=C3CSC4=CC=CC=C24

Isomeric SMILES

C1COCC[NH+]1CC(=O)N[C@H]2C3=CC=CC=C3CSC4=CC=CC=C24

InChI

InChI=1S/C20H22N2O2S/c23-19(13-22-9-11-24-12-10-22)21-20-16-6-2-1-5-15(16)14-25-18-8-4-3-7-17(18)20/h1-8,20H,9-14H2,(H,21,23)/p+1/t20-/m0/s1