[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] hydrogen sulfate

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] hydrogen sulfate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] hydrogen sulfate CAS Name: sulfuric acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropyl] ester IUPAC Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropyl] hydrogen sulfate Traditional Name: sulfuric acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)COS(=O)(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)COS(=O)(=O)O

InChI

InChI=1S/C18H21NO4S/c1-14(13-23-24(20,21)22)12-19-17-8-4-2-6-15(17)10-11-16-7-3-5-9-18(16)19/h2-9,14H,10-13H2,1H3,(H,20,21,22)