2-cyanoethyl-methyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2-cyanoethyl-methyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-cyanoethyl-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-methyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 2-cyanoethyl-methyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]azanium Traditional Name: 2-cyanoethyl-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C12H24N3O+ MolecularWeight: 226.33846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)[NH+](C)CCC#N

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)[NH+](C)CCC#N

InChI

InChI=1S/C12H23N3O/c1-10(2)6-8-14-12(16)11(3)15(4)9-5-7-13/h10-11H,5-6,8-9H2,1-4H3,(H,14,16)/p+1/t11-/m0/s1