[5-[[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1H-imidazol-1-ium-1-yl]carbonyl]-2-methyl-phenyl]-dipropyl-azanium dichloride

Systemtic Name: [5-[[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1H-imidazol-1-ium-1-yl]carbonyl]-2-methyl-phenyl]-dipropyl-azanium dichloride Openeye Name: [5-[4-(2-amino-3-hydroxy-3-oxo-propyl)-1H-imidazol-1-ium-1-carbonyl]-2-methyl-phenyl]-dipropyl-ammonium dichloride CAS Name: [5-[[4-(2-amino-3-hydroxy-3-oxopropyl)-1H-imidazol-1-ium-1-yl]-oxomethyl]-2-methylphenyl]-dipropylammonium dichloride IUPAC Name: [5-[4-(2-amino-3-hydroxy-3-oxopropyl)-1H-imidazol-1-ium-1-carbonyl]-2-methylphenyl]-dipropylazanium dichloride Traditional Name: [5-[4-(2-amino-3-hydroxy-3-keto-propyl)-1H-imidazol-1-ium-1-carbonyl]-2-methyl-phenyl]-dipropyl-ammonium dichloride Formula: C20H30Cl2N4O3 MolecularWeight: 445.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C1=C(C=CC(=C1)C(=O)[NH+]2C=C(N=C2)CC(C(=O)O)N)C.[Cl-].[Cl-]

Isomeric SMILES

CCC[NH+](CCC)C1=C(C=CC(=C1)C(=O)[NH+]2C=C(N=C2)CC(C(=O)O)N)C.[Cl-].[Cl-]

InChI

InChI=1S/C20H28N4O3.2ClH/c1-4-8-23(9-5-2)18-10-15(7-6-14(18)3)19(25)24-12-16(22-13-24)11-17(21)20(26)27;;/h6-7,10,12-13,17H,4-5,8-9,11,21H2,1-3H3,(H,26,27);2*1H