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

Systemtic Name: 3-(4-aminocarbonylphenyl)propyl-ethyl-[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]-methyl-azanium Openeye Name: 3-(4-carbamoylphenyl)propyl-ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-ammonium CAS Name: 3-(4-carbamoylphenyl)propyl-ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylammonium IUPAC Name: 3-(4-carbamoylphenyl)propyl-ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylazanium Traditional Name: 3-(4-carbamoylphenyl)propyl-ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-3-23(2,15-20(25)18-7-4-8-19(24)14-18)13-5-6-16-9-11-17(12-10-16)21(22)26/h4,7-12,14,20,25H,3,5-6,13,15H2,1-2H3,(H2-,22,24,26)/p+1