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

Systemtic Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-cyclopropylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-cyclopropylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-cyclopropylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-cyclopropylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(2-cyclopentylphenoxy)phenyl]-1-cyclopropylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=CC=C2OC3=CC=C(C=C3)[N+]4(CC=CC(=C4)CN)S(=O)(=O)C5CC5

Isomeric SMILES

C1CCC(C1)C2=CC=CC=C2OC3=CC=C(C=C3)[N+]4(CC=CC(=C4)CN)S(=O)(=O)C5CC5

InChI

InChI=1S/C26H31N2O3S/c27-18-20-6-5-17-28(19-20,32(29,30)24-15-16-24)22-11-13-23(14-12-22)31-26-10-4-3-9-25(26)21-7-1-2-8-21/h3-6,9-14,19,21,24H,1-2,7-8,15-18,27H2/q+1