[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-13(2)18(4,12-19)20-17(22)11-21(5)10-15-9-14(3)7-8-16(15)23-6/h7-9,13H,10-11H2,1-6H3,(H,20,22)/p+1/t18-/m1/s1