1,4-dioxaspiro[4.5]decan-3-yl-(2-hydroxyethyl)-methyl-(2-nitrophenyl)sulfanyl-azanium

Systemtic Name: 1,4-dioxaspiro[4.5]decan-3-yl-(2-hydroxyethyl)-methyl-(2-nitrophenyl)sulfanyl-azanium Openeye Name: 1,4-dioxaspiro[4.5]decan-3-yl-(2-hydroxyethyl)-methyl-(2-nitrophenyl)sulfanyl-ammonium CAS Name: 1,4-dioxaspiro[4.5]decan-3-yl-(2-hydroxyethyl)-methyl-[(2-nitrophenyl)thio]ammonium IUPAC Name: 1,4-dioxaspiro[4.5]decan-3-yl-(2-hydroxyethyl)-methyl-(2-nitrophenyl)sulfanylazanium Traditional Name: 1,4-dioxaspiro[4.5]decan-3-yl-(2-hydroxyethyl)-methyl-[(2-nitrophenyl)thio]ammonium Formula: C17H25N2O5S+ MolecularWeight: 369.4558

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCO)(C1COC2(O1)CCCCC2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[N+](CCO)(C1COC2(O1)CCCCC2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H25N2O5S/c1-19(11-12-20,25-15-8-4-3-7-14(15)18(21)22)16-13-23-17(24-16)9-5-2-6-10-17/h3-4,7-8,16,20H,2,5-6,9-13H2,1H3/q+1