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

Systemtic Name: [1-ethylsulfonyl-1-[3-(1-phenylethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(1-phenylethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(1-phenylethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(1-phenylethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(1-phenylethyl)phenyl]-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)C(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2O2S/c1-3-27(25,26)24(14-8-9-19(16-23)17-24)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-13,15,17-18H,3,14,16,23H2,1-2H3/q+1