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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[NH+](C)C2CCCCC2)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH+](C)C2CCCCC2)O

InChI

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