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

Systemtic Name: [1-[4-[4-(phenylmethyl)phenoxy]phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-benzylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-[4-(phenylmethyl)phenoxy]phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-benzylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-benzylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C28H31N2O3S+ MolecularWeight: 475.62234

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N2O3S/c1-2-19-34(31,32)30(18-6-9-25(21-29)22-30)26-12-16-28(17-13-26)33-27-14-10-24(11-15-27)20-23-7-4-3-5-8-23/h3-17,22H,2,18-21,29H2,1H3/q+1