[4-[2-[(6-azanyl-2-methyl-pyridin-1-ium-3-yl)methylamino]-2-oxidanylidene-ethyl]-5-(methoxymethyl)-3-oxidanylidene-1H-pyrazin-2-ylidene]-phenethyl-azanium dichloride

Systemtic Name: [4-[2-[(6-azanyl-2-methyl-pyridin-1-ium-3-yl)methylamino]-2-oxidanylidene-ethyl]-5-(methoxymethyl)-3-oxidanylidene-1H-pyrazin-2-ylidene]-phenethyl-azanium dichloride Openeye Name: [4-[2-[(6-amino-2-methyl-pyridin-1-ium-3-yl)methylamino]-2-oxo-ethyl]-5-(methoxymethyl)-3-oxo-1H-pyrazin-2-ylidene]-phenethyl-ammonium dichloride CAS Name: [4-[2-[(6-amino-2-methyl-3-pyridin-1-iumyl)methylamino]-2-oxoethyl]-5-(methoxymethyl)-3-oxo-1H-pyrazin-2-ylidene]-phenethylammonium dichloride IUPAC Name: [4-[2-[(6-amino-2-methylpyridin-1-ium-3-yl)methylamino]-2-oxoethyl]-5-(methoxymethyl)-3-oxo-1H-pyrazin-2-ylidene]-phenethylazanium dichloride Traditional Name: [4-[2-[(6-amino-2-methyl-pyridin-1-ium-3-yl)methylamino]-2-keto-ethyl]-3-keto-5-(methoxymethyl)-1H-pyrazin-2-ylidene]-phenethyl-ammonium dichloride Formula: C23H30Cl2N6O3 MolecularWeight: 509.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=[NH+]1)N)CNC(=O)CN2C(=CNC(=[NH+]CCC3=CC=CC=C3)C2=O)COC.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=CC(=[NH+]1)N)CNC(=O)CN2C(=CNC(=[NH+]CCC3=CC=CC=C3)C2=O)COC.[Cl-].[Cl-]

InChI

InChI=1S/C23H28N6O3.2ClH/c1-16-18(8-9-20(24)28-16)12-26-21(30)14-29-19(15-32-2)13-27-22(23(29)31)25-11-10-17-6-4-3-5-7-17;;/h3-9,13H,10-12,14-15H2,1-2H3,(H2,24,28)(H,25,27)(H,26,30);2*1H