1-[(5R)-5-piperidin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone

Systemtic Name: 1-[(5R)-5-piperidin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone Openeye Name: 1-[(5R)-5-piperidin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone CAS Name: 1-[(5R)-5-(1-piperidin-1-iumyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone IUPAC Name: 1-[(5R)-5-piperidin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone Traditional Name: 1-[(5R)-5-piperidin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2CC(C3=CC=CC=C31)[NH+]4CCCCC4

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2C[C@H](C3=CC=CC=C31)[NH+]4CCCCC4

InChI

InChI=1S/C21H24N2O/c1-16(24)23-19-11-5-3-9-17(19)15-21(22-13-7-2-8-14-22)18-10-4-6-12-20(18)23/h3-6,9-12,21H,2,7-8,13-15H2,1H3/p+1/t21-/m1/s1