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

Systemtic Name: methanesulfonate; 4-(1-methylpyrrolidin-1-ium-1-yl)benzaldehyde Openeye Name: methanesulfonate; 4-(1-methylpyrrolidin-1-ium-1-yl)benzaldehyde CAS Name: methanesulfonate; 4-(1-methyl-1-pyrrolidin-1-iumyl)benzaldehyde IUPAC Name: methanesulfonate; 4-(1-methylpyrrolidin-1-ium-1-yl)benzaldehyde Traditional Name: 4-(1-methylpyrrolidin-1-ium-1-yl)benzaldehyde mesylate Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C2=CC=C(C=C2)C=O.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)C2=CC=C(C=C2)C=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H16NO.CH4O3S/c1-13(8-2-3-9-13)12-6-4-11(10-14)5-7-12;1-5(2,3)4/h4-7,10H,2-3,8-9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1