[4-(hydroxymethyl)-6-methoxy-1-oxidanidyl-quinolin-1-ium-3-yl]methanol

Systemtic Name: [4-(hydroxymethyl)-6-methoxy-1-oxidanidyl-quinolin-1-ium-3-yl]methanol Openeye Name: [4-(hydroxymethyl)-6-methoxy-1-oxido-quinolin-1-ium-3-yl]methanol CAS Name: [4-(hydroxymethyl)-6-methoxy-1-oxido-3-quinolin-1-iumyl]methanol IUPAC Name: [4-(hydroxymethyl)-6-methoxy-1-oxidoquinolin-1-ium-3-yl]methanol Traditional Name: (6-methoxy-4-methylol-1-oxido-quinolin-1-ium-3-yl)methanol Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[N+](=C2C=C1)[O-])CO)CO

Isomeric SMILES

COC1=CC2=C(C(=C[N+](=C2C=C1)[O-])CO)CO

InChI

InChI=1S/C12H13NO4/c1-17-9-2-3-12-10(4-9)11(7-15)8(6-14)5-13(12)16/h2-5,14-15H,6-7H2,1H3