octanoate; 5-phenethylsulfanyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

Systemtic Name: octanoate; 5-phenethylsulfanyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole Openeye Name: 3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenethylsulfanyl-1H-indole; octanoate CAS Name: octanoate; 5-(phenethylthio)-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole IUPAC Name: octanoate; 5-phenethylsulfanyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole Traditional Name: caprylate; 3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-5-(phenethylthio)-1H-indole Formula: C32H43N2O2S- MolecularWeight: 519.76102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CC(C)N1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SCCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCC(=O)[O-].CC(C)N1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SCCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2S.C8H16O2/c1-18(2)26-13-10-20(11-14-26)23-17-25-24-9-8-21(16-22(23)24)27-15-12-19-6-4-3-5-7-19;1-2-3-4-5-6-7-8(9)10/h3-10,16-18,25H,11-15H2,1-2H3;2-7H2,1H3,(H,9,10)/p-1