methanesulfonate; 1-methyl-1-(4-phenylbutyl)piperidin-1-ium

Systemtic Name: methanesulfonate; 1-methyl-1-(4-phenylbutyl)piperidin-1-ium Openeye Name: methanesulfonate; 1-methyl-1-(4-phenylbutyl)piperidin-1-ium CAS Name: methanesulfonate; 1-methyl-1-(4-phenylbutyl)piperidin-1-ium IUPAC Name: methanesulfonate; 1-methyl-1-(4-phenylbutyl)piperidin-1-ium Traditional Name: 1-methyl-1-(4-phenylbutyl)piperidin-1-ium mesylate Formula: C17H29NO3S MolecularWeight: 327.48206

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCCC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCCC2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H26N.CH4O3S/c1-17(13-7-3-8-14-17)15-9-6-12-16-10-4-2-5-11-16;1-5(2,3)4/h2,4-5,10-11H,3,6-9,12-15H2,1H3;1H3,(H,2,3,4)/q+1;/p-1