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

Systemtic Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine Openeye Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine CAS Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine IUPAC Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine Traditional Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-4-yl]methylamine Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=C(C=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3C4CCCC4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=C(C=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3C4CCCC4

InChI

InChI=1S/C25H31N2O3S/c1-2-31(28,29)27(17-15-20(19-26)16-18-27)22-11-13-23(14-12-22)30-25-10-6-5-9-24(25)21-7-3-4-8-21/h5-6,9-17,21H,2-4,7-8,18-19,26H2,1H3/q+1