1-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methyl]pyridin-1-ium-3-carboxamide dichloride

Systemtic Name: 1-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methyl]pyridin-1-ium-3-carboxamide dichloride Openeye Name: 1-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methyl]pyridin-1-ium-3-carboxamide dichloride CAS Name: 1-[(4-amino-2-methyl-5-pyrimidin-1-iumyl)methyl]-3-pyridin-1-iumcarboxamide dichloride IUPAC Name: 1-[(4-amino-2-methylpyrimidin-1-ium-5-yl)methyl]pyridin-1-ium-3-carboxamide dichloride Traditional Name: 1-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methyl]pyridin-1-ium-3-carboxamide dichloride Formula: C12H15Cl2N5O MolecularWeight: 316.1864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=N1)N)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-].[Cl-]

Isomeric SMILES

CC1=[NH+]C=C(C(=N1)N)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C12H13N5O.2ClH/c1-8-15-5-10(11(13)16-8)7-17-4-2-3-9(6-17)12(14)18;;/h2-6H,7H2,1H3,(H3-,13,14,15,16,18);2*1H