3,4-bis(oxidanyl)benzaldehyde; N,N-dimethyl-1-phenyl-methanamine; methanesulfonate

Systemtic Name: 3,4-bis(oxidanyl)benzaldehyde; N,N-dimethyl-1-phenyl-methanamine; methanesulfonate Openeye Name: 3,4-dihydroxybenzaldehyde; N,N-dimethyl-1-phenyl-methanamine; methanesulfonate CAS Name: 3,4-dihydroxybenzaldehyde; N,N-dimethyl-1-phenylmethanamine; methanesulfonate IUPAC Name: 3,4-dihydroxybenzaldehyde; N,N-dimethyl-1-phenylmethanamine; methanesulfonate Traditional Name: benzyl(dimethyl)amine; 3,4-dihydroxybenzaldehyde; mesylate Formula: C17H22NO6S- MolecularWeight: 368.42468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1.CS(=O)(=O)[O-].C1=CC(=C(C=C1C=O)O)O

Isomeric SMILES

CN(C)CC1=CC=CC=C1.CS(=O)(=O)[O-].C1=CC(=C(C=C1C=O)O)O

InChI

InChI=1S/C9H13N.C7H6O3.CH4O3S/c1-10(2)8-9-6-4-3-5-7-9;8-4-5-1-2-6(9)7(10)3-5;1-5(2,3)4/h3-7H,8H2,1-2H3;1-4,9-10H;1H3,(H,2,3,4)/p-1