6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-9-carboxylic acid

Systemtic Name: 6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-9-carboxylic acid Openeye Name: 6-(1-piperidyl)benzo[b][1,4]benzothiazepine-9-carboxylic acid CAS Name: 6-(1-piperidinyl)-9-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-9-carboxylic acid Traditional Name: 6-piperidinobenzo[b][1,4]benzothiazepine-9-carboxylic acid Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=CC(=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=CC(=C4)C(=O)O

InChI

InChI=1S/C19H18N2O2S/c22-19(23)13-8-9-14-17(12-13)24-16-7-3-2-6-15(16)20-18(14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,23)