[1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-6-yl]methylamine Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC=C3C4CCCC4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC=C3C4CCCC4

InChI

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