[4-[(2S)-2-azaniumyl-3-(methylamino)-3-oxidanylidene-propyl]phenyl]-dimethyl-azanium dichloride

Systemtic Name: [4-[(2S)-2-azaniumyl-3-(methylamino)-3-oxidanylidene-propyl]phenyl]-dimethyl-azanium dichloride Openeye Name: [4-[(2S)-2-azaniumyl-3-(methylamino)-3-oxo-propyl]phenyl]-dimethyl-ammonium dichloride CAS Name: [4-[(2S)-2-ammonio-3-(methylamino)-3-oxopropyl]phenyl]-dimethylammonium dichloride IUPAC Name: [4-[(2S)-2-azaniumyl-3-(methylamino)-3-oxopropyl]phenyl]-dimethylazanium dichloride Traditional Name: [4-[(2S)-2-ammonio-3-keto-3-(methylamino)propyl]phenyl]-dimethyl-ammonium dichloride Formula: C12H21Cl2N3O MolecularWeight: 294.22064

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=C(C=C1)[NH+](C)C)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=C(C=C1)[NH+](C)C)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C12H19N3O.2ClH/c1-14-12(16)11(13)8-9-4-6-10(7-5-9)15(2)3;;/h4-7,11H,8,13H2,1-3H3,(H,14,16);2*1H/t11-;;/m0../s1