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

Systemtic Name: [1-ethylsulfonyl-1-[4-(phenylmethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(4-benzylphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(phenylmethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(4-benzylphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(4-benzylphenyl)-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O2S/c1-2-26(24,25)23(14-6-9-20(16-22)17-23)21-12-10-19(11-13-21)15-18-7-4-3-5-8-18/h3-13,17H,2,14-16,22H2,1H3/q+1