3-(4,5-dihydro-3H-2-benzazepin-2-ium-2-yl)propane-1-sulfonate

Systemtic Name: 3-(4,5-dihydro-3H-2-benzazepin-2-ium-2-yl)propane-1-sulfonate Openeye Name: 3-(4,5-dihydro-3H-2-benzazepin-2-ium-2-yl)propane-1-sulfonate CAS Name: 3-(4,5-dihydro-3H-2-benzazepin-2-ium-2-yl)-1-propanesulfonate IUPAC Name: 3-(4,5-dihydro-3H-2-benzazepin-2-ium-2-yl)propane-1-sulfonate Traditional Name: 3-(4,5-dihydro-3H-2-benzazepin-2-ium-2-yl)propane-1-sulfonate Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C=[N+](C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2C=[N+](C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H17NO3S/c15-18(16,17)10-4-9-14-8-3-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,11H,3-4,7-10H2