methanesulfonate; 4-(1-methylpiperidin-1-ium-1-yl)benzaldehyde

Systemtic Name: methanesulfonate; 4-(1-methylpiperidin-1-ium-1-yl)benzaldehyde Openeye Name: methanesulfonate; 4-(1-methylpiperidin-1-ium-1-yl)benzaldehyde CAS Name: methanesulfonate; 4-(1-methyl-1-piperidin-1-iumyl)benzaldehyde IUPAC Name: methanesulfonate; 4-(1-methylpiperidin-1-ium-1-yl)benzaldehyde Traditional Name: 4-(1-methylpiperidin-1-ium-1-yl)benzaldehyde mesylate Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C2=CC=C(C=C2)C=O.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)C2=CC=C(C=C2)C=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H18NO.CH4O3S/c1-14(9-3-2-4-10-14)13-7-5-12(11-15)6-8-13;1-5(2,3)4/h5-8,11H,2-4,9-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1