3,5-bis(morpholin-4-ium-4-ylmethyl)-2-oxidanyl-7-propan-2-yl-cyclohepta-2,4,6-trien-1-one dichloride

Systemtic Name: 3,5-bis(morpholin-4-ium-4-ylmethyl)-2-oxidanyl-7-propan-2-yl-cyclohepta-2,4,6-trien-1-one dichloride Openeye Name: 2-hydroxy-7-isopropyl-3,5-bis(morpholin-4-ium-4-ylmethyl)cyclohepta-2,4,6-trien-1-one dichloride CAS Name: 2-hydroxy-3,5-bis(4-morpholin-4-iumylmethyl)-7-propan-2-yl-1-cyclohepta-2,4,6-trienone dichloride IUPAC Name: 2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dichloride Traditional Name: 2-hydroxy-7-isopropyl-3,5-bis(morpholin-4-ium-4-ylmethyl)cyclohepta-2,4,6-trien-1-one dichloride Formula: C20H32Cl2N2O4 MolecularWeight: 435.38508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C(C1=O)O)C[NH+]2CCOCC2)C[NH+]3CCOCC3.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC(=CC(=C(C1=O)O)C[NH+]2CCOCC2)C[NH+]3CCOCC3.[Cl-].[Cl-]

InChI

InChI=1S/C20H30N2O4.2ClH/c1-15(2)18-12-16(13-21-3-7-25-8-4-21)11-17(19(23)20(18)24)14-22-5-9-26-10-6-22;;/h11-12,15H,3-10,13-14H2,1-2H3,(H,23,24);2*1H