[1-cyclopropylsulfonyl-1-[4-(2-ethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-cyclopropylsulfonyl-1-[4-(2-ethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[4-(2-ethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[4-(2-ethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[4-(2-ethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[4-(2-ethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

Isomeric SMILES

CCOC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

InChI

InChI=1S/C23H27N2O4S/c1-2-28-22-7-3-4-8-23(22)29-20-11-9-19(10-12-20)25(30(26,27)21-13-14-21)15-5-6-18(16-24)17-25/h3-12,17,21H,2,13-16,24H2,1H3/q+1