N-(4-hydroxyphenyl)-4-[[4-(5-phenylheptan-3-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide

Systemtic Name: N-(4-hydroxyphenyl)-4-[[4-(5-phenylheptan-3-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide Openeye Name: 4-[[4-(1-ethyl-3-phenyl-pentyl)pyridin-1-ium-1-yl]methyl]-N-(4-hydroxyphenyl)benzenesulfonamide CAS Name: N-(4-hydroxyphenyl)-4-[[4-(5-phenylheptan-3-yl)-1-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(4-hydroxyphenyl)-4-[[4-(5-phenylheptan-3-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide Traditional Name: 4-[[4-(1-ethyl-3-phenyl-pentyl)pyridin-1-ium-1-yl]methyl]-N-(4-hydroxyphenyl)benzenesulfonamide Formula: C31H35N2O3S+ MolecularWeight: 515.6862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)O)C4=CC=CC=C4

Isomeric SMILES

CCC(CC(CC)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C31H34N2O3S/c1-3-25(27-8-6-5-7-9-27)22-26(4-2)28-18-20-33(21-19-28)23-24-10-16-31(17-11-24)37(35,36)32-29-12-14-30(34)15-13-29/h5-21,25-26,32H,3-4,22-23H2,1-2H3/p+1