ethyl-[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]-methyl-[3-(4-nitrophenyl)propyl]azanium

Systemtic Name: ethyl-[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]-methyl-[3-(4-nitrophenyl)propyl]azanium Openeye Name: ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-[3-(4-nitrophenyl)propyl]ammonium CAS Name: ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-[3-(4-nitrophenyl)propyl]ammonium IUPAC Name: ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-[3-(4-nitrophenyl)propyl]azanium Traditional Name: ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-[3-(4-nitrophenyl)propyl]ammonium Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCCC1=CC=C(C=C1)[N+](=O)[O-])CC(C2=CC(=CC=C2)O)O

Isomeric SMILES

CC[N+](C)(CCCC1=CC=C(C=C1)[N+](=O)[O-])CC(C2=CC(=CC=C2)O)O

InChI

InChI=1S/C20H26N2O4/c1-3-22(2,15-20(24)17-7-4-8-19(23)14-17)13-5-6-16-9-11-18(12-10-16)21(25)26/h4,7-12,14,20,24H,3,5-6,13,15H2,1-2H3/p+1