2-[4-(1-adamantylcarbamoyl)piperazin-1-ium-1-yl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[4-(1-adamantylcarbamoyl)piperazin-1-ium-1-yl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[4-(1-adamantylcarbamoyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[4-[(1-adamantylamino)-oxomethyl]-1-piperazin-1-iumyl]ethyl-dimethylammonium dichloride IUPAC Name: 2-[4-(1-adamantylcarbamoyl)piperazin-1-ium-1-yl]ethyl-dimethylazanium dichloride Traditional Name: 2-[4-(1-adamantylcarbamoyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium dichloride Formula: C19H36Cl2N4O MolecularWeight: 407.42134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)NC23CC4CC(C2)CC(C4)C3.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)NC23CC4CC(C2)CC(C4)C3.[Cl-].[Cl-]

InChI

InChI=1S/C19H34N4O.2ClH/c1-21(2)3-4-22-5-7-23(8-6-22)18(24)20-19-12-15-9-16(13-19)11-17(10-15)14-19;;/h15-17H,3-14H2,1-2H3,(H,20,24);2*1H