[(1S)-2-[4-(4-tert-butylphenoxy)butanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[4-(4-tert-butylphenoxy)butanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[4-(4-tert-butylphenoxy)butanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[4-(4-tert-butylphenoxy)butanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[4-(4-tert-butylphenoxy)butanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C24H34N2O2/c1-24(2,3)20-13-15-21(16-14-20)28-17-9-12-23(27)25-18-22(26(4)5)19-10-7-6-8-11-19/h6-8,10-11,13-16,22H,9,12,17-18H2,1-5H3,(H,25,27)/p+1/t22-/m1/s1