benzenesulfonate; 2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]ethanenitrile

Systemtic Name: benzenesulfonate; 2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]ethanenitrile Openeye Name: benzenesulfonate; 2-[1-(2-pyridylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile CAS Name: benzenesulfonate; 2-[1-(2-pyridinylmethyl)-1-pyrrolidin-1-iumyl]acetonitrile IUPAC Name: benzenesulfonate; 2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[1-(2-pyridylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile besylate Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC#N)CC2=CC=CC=N2.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1CC[N+](C1)(CC#N)CC2=CC=CC=N2.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16N3.C6H6O3S/c13-6-10-15(8-3-4-9-15)11-12-5-1-2-7-14-12;7-10(8,9)6-4-2-1-3-5-6/h1-2,5,7H,3-4,8-11H2;1-5H,(H,7,8,9)/q+1;/p-1