3-(3-chloranyl-5,6-dihydrobenzo[b][1,4]benzothiazepin-5-ium-5-yl)propyl-methyl-azanium dibromide

Systemtic Name: 3-(3-chloranyl-5,6-dihydrobenzo[b][1,4]benzothiazepin-5-ium-5-yl)propyl-methyl-azanium dibromide Openeye Name: 3-(3-chloro-5,6-dihydrobenzo[b][1,4]benzothiazepin-5-ium-5-yl)propyl-methyl-ammonium dibromide CAS Name: 3-(3-chloro-5,6-dihydrobenzo[b][1,4]benzothiazepin-5-ium-5-yl)propyl-methylammonium dibromide IUPAC Name: 3-(3-chloro-5,6-dihydrobenzo[b][1,4]benzothiazepin-5-ium-5-yl)propyl-methylazanium dibromide Traditional Name: 3-(3-chloro-5,6-dihydrobenzo[b][1,4]benzothiazepin-5-ium-5-yl)propyl-methyl-ammonium dibromide Formula: C17H21Br2ClN2S MolecularWeight: 480.68804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH+]1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-].[Br-]

Isomeric SMILES

C[NH2+]CCC[NH+]1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-].[Br-]

InChI

InChI=1S/C17H19ClN2S.2BrH/c1-19-9-4-10-20-12-13-5-2-3-6-16(13)21-17-8-7-14(18)11-15(17)20;;/h2-3,5-8,11,19H,4,9-10,12H2,1H3;2*1H