2-azanylethanesulfonate; 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol

Systemtic Name: 2-azanylethanesulfonate; 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol Openeye Name: 2-aminoethanesulfonate; 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol CAS Name: 2-aminoethanesulfonate; 2,4-dimethyl-9-pyrido[1,2-a]pyrimidin-5-iumol IUPAC Name: 2-aminoethanesulfonate; 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol Traditional Name: 2-aminoethanesulfonate; 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=CC=[N+]12)O)C.C(CS(=O)(=O)[O-])N

Isomeric SMILES

CC1=CC(=NC2=C(C=CC=[N+]12)O)C.C(CS(=O)(=O)[O-])N

InChI

InChI=1S/C10H10N2O.C2H7NO3S/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7;3-1-2-7(4,5)6/h3-6H,1-2H3;1-3H2,(H,4,5,6)