dihydrogen phosphate; 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridin-1-ium

Systemtic Name: dihydrogen phosphate; 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridin-1-ium Openeye Name: dihydrogen phosphate; 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridin-1-ium CAS Name: dihydrogen phosphate; 4-[2-[(4-methoxyphenyl)thio]ethyl]pyridin-1-ium IUPAC Name: dihydrogen phosphate; 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridin-1-ium Traditional Name: dihydrogen phosphate; 4-[2-[(4-methoxyphenyl)thio]ethyl]pyridin-1-ium Formula: C14H18NO5PS MolecularWeight: 343.335181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.OP(=O)(O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.OP(=O)(O)[O-]

InChI

InChI=1S/C14H15NOS.H3O4P/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12;1-5(2,3)4/h2-7,9-10H,8,11H2,1H3;(H3,1,2,3,4)