1-methylpyridin-1-ium-4-amine sulfate

Systemtic Name: 1-methylpyridin-1-ium-4-amine sulfate Openeye Name: 1-methylpyridin-1-ium-4-amine sulfate CAS Name: 1-methyl-4-pyridin-1-iumamine sulfate IUPAC Name: 1-methylpyridin-1-ium-4-amine sulfate Traditional Name: (1-methylpyridin-1-ium-4-yl)amine sulfate Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)N.C[N+]1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)N.C[N+]1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C6H8N2.H2O4S/c2*1-8-4-2-6(7)3-5-8;1-5(2,3)4/h2*2-5,7H,1H3;(H2,1,2,3,4)