4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfanyl)ethyl]pyridin-1-ium; dihydrogen phosphate

Systemtic Name: 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfanyl)ethyl]pyridin-1-ium; dihydrogen phosphate Openeye Name: 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfanyl)ethyl]pyridin-1-ium; dihydrogen phosphate CAS Name: 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylthio)ethyl]pyridin-1-ium; dihydrogen phosphate IUPAC Name: 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfanyl)ethyl]pyridin-1-ium; dihydrogen phosphate Traditional Name: 4-[2-(acenaphthen-5-ylmethylthio)ethyl]pyridin-1-ium; dihydrogen phosphate Formula: C20H22NO4PS MolecularWeight: 403.431741

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)CSCCC4=CC=[NH+]C=C4.OP(=O)(O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)CSCCC4=CC=[NH+]C=C4.OP(=O)(O)[O-]

InChI

InChI=1S/C20H19NS.H3O4P/c1-2-16-4-5-17-6-7-18(19(3-1)20(16)17)14-22-13-10-15-8-11-21-12-9-15;1-5(2,3)4/h1-3,6-9,11-12H,4-5,10,13-14H2;(H3,1,2,3,4)