[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(4-ethylphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-(4-ethylbenzyl)-methyl-ammonium Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C18H27N3O/c1-6-15-7-9-16(10-8-15)11-21(5)12-17(22)20-18(4,13-19)14(2)3/h7-10,14H,6,11-12H2,1-5H3,(H,20,22)/p+1/t18-/m1/s1