3-(3-methylbenzimidazol-3-ium-1-yl)propanamide; methyl sulfate

Systemtic Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propanamide; methyl sulfate Openeye Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propanamide; methyl sulfate CAS Name: 3-(3-methyl-1-benzimidazol-3-iumyl)propanamide; methyl sulfate IUPAC Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propanamide; methyl sulfate Traditional Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propionamide; methyl sulfate Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CCC(=O)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CCC(=O)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H13N3O.CH4O4S/c1-13-8-14(7-6-11(12)15)10-5-3-2-4-9(10)13;1-5-6(2,3)4/h2-5,8H,6-7H2,1H3,(H-,12,15);1H3,(H,2,3,4)