[1-ethylsulfonyl-1-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-esyl-1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methylamine Formula: C24H31N2O3S+ MolecularWeight: 427.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=C(C=CC(=C3)C)C(C)C

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=C(C=CC(=C3)C)C(C)C

InChI

InChI=1S/C24H31N2O3S/c1-5-30(27,28)26(15-7-6-8-21(26)17-25)20-10-12-22(13-11-20)29-24-16-19(4)9-14-23(24)18(2)3/h6-14,16,18H,5,15,17,25H2,1-4H3/q+1