butanedioic acid; 5-(2-piperidin-1-ylethyl)-6H-benzo[b][1,4]benzothiazepine

Systemtic Name: butanedioic acid; 5-(2-piperidin-1-ylethyl)-6H-benzo[b][1,4]benzothiazepine Openeye Name: 5-[2-(1-piperidyl)ethyl]-6H-benzo[b][1,4]benzothiazepine; succinic acid CAS Name: butanedioic acid; 5-[2-(1-piperidinyl)ethyl]-6H-benzo[b][1,4]benzothiazepine IUPAC Name: butanedioic acid; 5-(2-piperidin-1-ylethyl)-6H-benzo[b][1,4]benzothiazepine Traditional Name: 5-(2-piperidinoethyl)-6H-benzo[b][1,4]benzothiazepine; succinic acid Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CC3=CC=CC=C3SC4=CC=CC=C42.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCN2CC3=CC=CC=C3SC4=CC=CC=C42.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C20H24N2S.C4H6O4/c1-6-12-21(13-7-1)14-15-22-16-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)22;5-3(6)1-2-4(7)8/h2-5,8-11H,1,6-7,12-16H2;1-2H2,(H,5,6)(H,7,8)