[1-ethylsulfonyl-1-(3-phenethylphenyl)-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-(3-phenethylphenyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-(3-phenethylphenyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-(3-phenethylphenyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-(3-phenethylphenyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(3-phenethylphenyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N2O2S/c1-2-27(25,26)24(15-7-11-21(17-23)18-24)22-12-6-10-20(16-22)14-13-19-8-4-3-5-9-19/h3-12,16,18H,2,13-15,17,23H2,1H3/q+1