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

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O/c1-7-23(12-16-8-10-17(11-9-16)22(5)6)13-18(24)21-19(4,14-20)15(2)3/h8-11,15H,7,12-13H2,1-6H3,(H,21,24)/p+1/t19-/m1/s1