[(2S)-3-(4-acetamidophenoxy)-2-oxidanyl-propyl]-cycloheptyl-azanium

Systemtic Name: [(2S)-3-(4-acetamidophenoxy)-2-oxidanyl-propyl]-cycloheptyl-azanium Openeye Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-cycloheptyl-ammonium CAS Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cycloheptylammonium IUPAC Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cycloheptylazanium Traditional Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-cycloheptyl-ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[NH2+]C2CCCCCC2)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH2+]C2CCCCCC2)O

InChI

InChI=1S/C18H28N2O3/c1-14(21)20-16-8-10-18(11-9-16)23-13-17(22)12-19-15-6-4-2-3-5-7-15/h8-11,15,17,19,22H,2-7,12-13H2,1H3,(H,20,21)/p+1/t17-/m0/s1