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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O/c1-4-5-6-9-14-12(16)11(2)15(3)10-7-8-13/h11H,4-7,9-10H2,1-3H3,(H,14,16)/p+1/t11-/m0/s1