2-[2-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-ylsulfanyl)ethyl]piperidine-1-carboxylate

Systemtic Name: 2-[2-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-ylsulfanyl)ethyl]piperidine-1-carboxylate Openeye Name: 2-[2-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-ylsulfanyl)ethyl]piperidine-1-carboxylate CAS Name: 2-[2-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-ylthio)ethyl]-1-piperidinecarboxylate IUPAC Name: 2-[2-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-ylsulfanyl)ethyl]piperidine-1-carboxylate Traditional Name: 2-[2-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-ylthio)ethyl]piperidine-1-carboxylate Formula: C18H25N2O2S- MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCSC2=CC3=C(CCCNC3)C=C2)C(=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CCSC2=CC3=C(CCCNC3)C=C2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O2S/c21-18(22)20-10-2-1-5-16(20)8-11-23-17-7-6-14-4-3-9-19-13-15(14)12-17/h6-7,12,16,19H,1-5,8-11,13H2,(H,21,22)/p-1