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11-(1-octadecylpiperidin-4-yl)-6H-benzo[c][1,5]benzothiazepine

11-(1-octadecylpiperidin-4-yl)-6H-benzo[c][1,5]benzothiazepine

Systemtic Name:11-(1-octadecylpiperidin-4-yl)-6H-benzo[c][1,5]benzothiazepine
Openeye Name:11-(1-octadecyl-4-piperidyl)-6H-benzo[c][1,5]benzothiazepine
CAS Name:11-(1-octadecyl-4-piperidinyl)-6H-benzo[c][1,5]benzothiazepine
IUPAC Name:11-(1-octadecylpiperidin-4-yl)-6H-benzo[c][1,5]benzothiazepine
Traditional Name:11-(1-stearyl-4-piperidyl)-6H-benzo[c][1,5]benzothiazepine
Formula: C36H56N2S
MolecularWeight: 548.90824
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCC(CC1)N2C3=CC=CC=C3CSC4=CC=CC=C42


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCC(CC1)N2C3=CC=CC=C3CSC4=CC=CC=C42


InChI

InChI=1S/C36H56N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-37-29-26-33(27-30-37)38-34-23-18-17-22-32(34)31-39-36-25-20-19-24-35(36)38/h17-20,22-25,33H,2-16,21,26-31H2,1H3


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