2-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2S)-2-(4-cyanophenoxy)-1-oxopropyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]ethyl-diisopropyl-ammonium Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C(C)OC1=CC=C(C=C1)C#N)C(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H27N3O2/c1-13(2)21(14(3)4)11-10-20-18(22)15(5)23-17-8-6-16(12-19)7-9-17/h6-9,13-15H,10-11H2,1-5H3,(H,20,22)/p+1/t15-/m0/s1