[(2S,3S)-1-[2-cyanoethyl(phenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[2-cyanoethyl(phenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[2-cyanoethyl(phenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[N-(2-cyanoethyl)anilino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[N-(2-cyanoethyl)anilino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[2-cyanoethyl(phenyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CCC#N)C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N(CCC#N)C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C15H21N3O/c1-3-12(2)14(17)15(19)18(11-7-10-16)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,11,17H2,1-2H3/p+1/t12-,14-/m0/s1