2-acetamidoethyl-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]azanium

Systemtic Name: 2-acetamidoethyl-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]azanium Openeye Name: 2-acetamidoethyl-[(1S)-1-(4-isobutoxyphenyl)ethyl]ammonium CAS Name: 2-acetamidoethyl-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]ammonium IUPAC Name: 2-acetamidoethyl-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]azanium Traditional Name: 2-acetamidoethyl-[(1S)-1-(4-isobutoxyphenyl)ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(C)[NH2+]CCNC(=O)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)OCC(C)C)[NH2+]CCNC(=O)C

InChI

InChI=1S/C16H26N2O2/c1-12(2)11-20-16-7-5-15(6-8-16)13(3)17-9-10-18-14(4)19/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19)/p+1/t13-/m0/s1