[1-[4-(4-phenylmethoxyphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(4-phenylmethoxyphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-benzyloxyphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-phenylmethoxyphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-phenylmethoxyphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-benzoxyphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C28H31N2O4S+ MolecularWeight: 491.62174

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31N2O4S/c1-2-19-35(31,32)30(18-6-9-24(20-29)21-30)25-10-12-27(13-11-25)34-28-16-14-26(15-17-28)33-22-23-7-4-3-5-8-23/h3-17,21H,2,18-20,22,29H2,1H3/q+1