(4-tert-butylphenyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

C[C@@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H29N3O/c1-19(2,3)16-8-6-15(7-9-16)12-23(5)13-18(24)22-20(4,14-21)17-10-11-17/h6-9,17H,10-13H2,1-5H3,(H,22,24)/p+1/t20-/m1/s1