1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxidanylidene-propyl]piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxidanylidene-propyl]piperidin-1-ium-1-carboxylic acid Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxo-propyl]piperidin-1-ium-1-carboxylic acid CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxopropyl]-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxopropyl]piperidin-1-ium-1-carboxylic acid Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-2-methyl-propyl]piperidin-1-ium-1-carboxylic acid Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCC1)C(=O)O)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CC(C[N+]1(CCCCC1)C(=O)O)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C24H28N2O3/c1-18(17-26(24(28)29)15-7-2-8-16-26)23(27)25-21-11-5-3-9-19(21)13-14-20-10-4-6-12-22(20)25/h3-6,9-12,18H,2,7-8,13-17H2,1H3/p+1