2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate

Systemtic Name: 2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate Openeye Name: 2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate CAS Name: 2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylthio)ethyl]-1-piperidinecarboxylate IUPAC Name: 2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate Traditional Name: 2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-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(CCNCC3)C=C2)C(=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CCSC2=CC3=C(CCNCC3)C=C2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O2S/c21-18(22)20-11-2-1-3-16(20)8-12-23-17-5-4-14-6-9-19-10-7-15(14)13-17/h4-5,13,16,19H,1-3,6-12H2,(H,21,22)/p-1