(4-tert-butylphenyl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+](C)CC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C20H31N3O/c1-15(2)20(6,14-21)22-18(24)13-23(7)12-16-8-10-17(11-9-16)19(3,4)5/h8-11,15H,12-13H2,1-7H3,(H,22,24)/p+1/t20-/m0/s1