8-fluoranyl-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride

Systemtic Name: 8-fluoranyl-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride Openeye Name: 8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride CAS Name: 8-fluoro-5-(4-fluorophenyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride IUPAC Name: 8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride Traditional Name: 8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride Formula: C22H28Cl2F2N2 MolecularWeight: 429.373926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.[Cl-].[Cl-]

InChI

InChI=1S/C22H26F2N2.2ClH/c23-18-7-5-17(6-8-18)20-4-3-13-26(15-14-25-11-1-2-12-25)22-16-19(24)9-10-21(20)22;;/h5-10,16,20H,1-4,11-15H2;2*1H