dimethyl-[2-oxidanyl-2-[4-oxidanyl-3-(trimethylazaniumyl)carbonyl-phenyl]propyl]-(4-phenylbutan-2-yl)azanium

Systemtic Name: dimethyl-[2-oxidanyl-2-[4-oxidanyl-3-(trimethylazaniumyl)carbonyl-phenyl]propyl]-(4-phenylbutan-2-yl)azanium Openeye Name: [5-[2-[dimethyl-(1-methyl-3-phenyl-propyl)ammonio]-1-hydroxy-1-methyl-ethyl]-2-hydroxy-benzoyl]-trimethyl-ammonium CAS Name: [[5-[1-[dimethyl(4-phenylbutan-2-yl)ammonio]-2-hydroxypropan-2-yl]-2-hydroxyphenyl]-oxomethyl]-trimethylammonium IUPAC Name: [5-[1-[dimethyl(4-phenylbutan-2-yl)azaniumyl]-2-hydroxypropan-2-yl]-2-hydroxybenzoyl]-trimethylazanium Traditional Name: [5-[2-[dimethyl-(1-methyl-3-phenyl-propyl)ammonio]-1-hydroxy-1-methyl-ethyl]-2-hydroxy-benzoyl]-trimethyl-ammonium Formula: C25H38N2O3+2 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[N+](C)(C)CC(C)(C2=CC(=C(C=C2)O)C(=O)[N+](C)(C)C)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)[N+](C)(C)CC(C)(C2=CC(=C(C=C2)O)C(=O)[N+](C)(C)C)O

InChI

InChI=1S/C25H37N2O3/c1-19(13-14-20-11-9-8-10-12-20)27(6,7)18-25(2,30)21-15-16-23(28)22(17-21)24(29)26(3,4)5/h8-12,15-17,19,30H,13-14,18H2,1-7H3/q+1/p+1