1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidin-1-ium-1-carboxylic acid Openeye Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidin-1-ium-1-carboxylic acid CAS Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidin-1-ium-1-carboxylic acid Traditional Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidin-1-ium-1-carboxylic acid Formula: C24H27N2O2+ MolecularWeight: 375.48338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

Isomeric SMILES

C1CC[N+](CC1)(CC#CCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C24H26N2O2/c27-24(28)26(17-7-1-8-18-26)19-9-6-16-25-22-12-4-2-10-20(22)14-15-21-11-3-5-13-23(21)25/h2-5,10-13H,1,7-8,14-19H2/p+1