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

Systemtic Name: [1-ethylsulfonyl-1-[3-[(2-methoxyphenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-[(2-methoxyphenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-[(2-methoxyphenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-[(2-methoxyphenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(3-o-anisylphenyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)CC3=CC=CC=C3OC

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C22H27N2O3S/c1-3-28(25,26)24(13-7-9-19(16-23)17-24)21-11-6-8-18(15-21)14-20-10-4-5-12-22(20)27-2/h4-12,15,17H,3,13-14,16,23H2,1-2H3/q+1