methanesulfonate; 1-methylquinolin-1-ium-4-carbaldehyde

Systemtic Name: methanesulfonate; 1-methylquinolin-1-ium-4-carbaldehyde Openeye Name: methanesulfonate; 1-methylquinolin-1-ium-4-carbaldehyde CAS Name: methanesulfonate; 1-methyl-4-quinolin-1-iumcarboxaldehyde IUPAC Name: methanesulfonate; 1-methylquinolin-1-ium-4-carbaldehyde Traditional Name: 1-methylquinolin-1-ium-4-carbaldehyde mesylate Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=O.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C11H10NO.CH4O3S/c1-12-7-6-9(8-13)10-4-2-3-5-11(10)12;1-5(2,3)4/h2-8H,1H3;1H3,(H,2,3,4)/q+1;/p-1