1-methoxy-9H-pyrido[2,3-b]indol-1-ium; methyl sulfate

Systemtic Name: 1-methoxy-9H-pyrido[2,3-b]indol-1-ium; methyl sulfate Openeye Name: 1-methoxy-9H-pyrido[2,3-b]indol-1-ium; methyl sulfate CAS Name: 1-methoxy-9H-pyrido[2,3-b]indol-1-ium; methyl sulfate IUPAC Name: 1-methoxy-9H-pyrido[2,3-b]indol-1-ium; methyl sulfate Traditional Name: 1-methoxy-9H-pyrid[2,3-b]indol-1-ium; methyl sulfate Formula: C13H14N2O5S MolecularWeight: 312.312478

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=CC2=C1NC3=CC=CC=C23.COS(=O)(=O)[O-]

Isomeric SMILES

CO[15N+]1=CC=CC2=C1[15NH]C3=CC=CC=C23.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H10N2O.CH4O4S/c1-15-14-8-4-6-10-9-5-2-3-7-11(9)13-12(10)14;1-5-6(2,3)4/h2-8H,1H3;1H3,(H,2,3,4)/i13+1,14+1;