[1-ethylsulfonyl-1-[4-methyl-3-(phenylmethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-methyl-3-(phenylmethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(3-benzyl-4-methyl-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-methyl-3-(phenylmethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(3-benzyl-4-methylphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(3-benzyl-4-methyl-phenyl)-1-esyl-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(=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=C(C=C2)C)CC3=CC=CC=C3

InChI

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