N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(2-ethyl-1-piperidin-1-iumyl)propyl]-8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H38N3OS+ MolecularWeight: 464.68582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCCC[NH+]4CCCCC4CC

Isomeric SMILES

CCC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCCC[NH+]4CCCCC4CC

InChI

InChI=1S/C28H37N3OS/c1-4-9-24-23-18-20(3)11-13-26(23)33-27-14-12-21(19-25(27)30-24)28(32)29-15-8-17-31-16-7-6-10-22(31)5-2/h9,11-14,18-19,22,30H,4-8,10,15-17H2,1-3H3,(H,29,32)/p+1