N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(2,6-dimethyl-1-piperidin-1-iumyl)ethyl]-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCC[NH+]3C(CCCC3C)C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCC[NH+]3C(CCCC3C)C)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H31N3O2S/c1-4-27-21-16-19(24(29)26-14-15-28-17(2)8-7-9-18(28)3)12-13-23(21)31-22-11-6-5-10-20(22)25(27)30/h5-6,10-13,16-18H,4,7-9,14-15H2,1-3H3,(H,26,29)/p+1