3-morpholin-4-ium-4-ylpropyl-[2-oxidanyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride hydrate

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[2-oxidanyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride hydrate Openeye Name: [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium dichloride hydrate CAS Name: [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium dichloride hydrate IUPAC Name: [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride hydrate Traditional Name: [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium dichloride hydrate Formula: C20H36Cl2N2O3 MolecularWeight: 423.41744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)C=C(C=C2)C(C[NH2+]CCC[NH+]3CCOCC3)O.O.[Cl-].[Cl-]

Isomeric SMILES

C1CCC2=C(CC1)C=C(C=C2)C(C[NH2+]CCC[NH+]3CCOCC3)O.O.[Cl-].[Cl-]

InChI

InChI=1S/C20H32N2O2.2ClH.H2O/c23-20(16-21-9-4-10-22-11-13-24-14-12-22)19-8-7-17-5-2-1-3-6-18(17)15-19;;;/h7-8,15,20-21,23H,1-6,9-14,16H2;2*1H;1H2