1-[3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride

Systemtic Name: 1-[3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride Openeye Name: 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride CAS Name: 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide dichloride IUPAC Name: 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride Traditional Name: 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride Formula: C28H39Cl3N4O MolecularWeight: 553.99446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C28H37ClN4O.2ClH/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H