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

Systemtic Name: dimethyl-(2-methyl-4-phenyl-butan-2-yl)-[2-oxidanyl-2-[4-oxidanyl-3-(trimethylazaniumyl)carbonyl-phenyl]propyl]azanium Openeye Name: (1,1-dimethyl-3-phenyl-propyl)-[2-hydroxy-2-[4-hydroxy-3-(trimethylammonio)carbonyl-phenyl]propyl]-dimethyl-ammonium CAS Name: [[5-[1-[dimethyl-(2-methyl-4-phenylbutan-2-yl)ammonio]-2-hydroxypropan-2-yl]-2-hydroxyphenyl]-oxomethyl]-trimethylammonium IUPAC Name: [5-[1-[dimethyl-(2-methyl-4-phenylbutan-2-yl)azaniumyl]-2-hydroxypropan-2-yl]-2-hydroxybenzoyl]-trimethylazanium Traditional Name: (1,1-dimethyl-3-phenyl-propyl)-[2-hydroxy-2-[4-hydroxy-3-(trimethylammonio)carbonyl-phenyl]propyl]-dimethyl-ammonium Formula: C26H40N2O3+2 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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(C)(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/C26H39N2O3/c1-25(2,17-16-20-12-10-9-11-13-20)28(7,8)19-26(3,31)21-14-15-23(29)22(18-21)24(30)27(4,5)6/h9-15,18,31H,16-17,19H2,1-8H3/q+1/p+1