[2-[[(1S)-1-cyano-2-methyl-propyl]amino]-2-oxidanylidene-ethyl]-(phenylmethoxymethyl)azanium

Systemtic Name: [2-[[(1S)-1-cyano-2-methyl-propyl]amino]-2-oxidanylidene-ethyl]-(phenylmethoxymethyl)azanium Openeye Name: benzyloxymethyl-[2-[[(1S)-1-cyano-2-methyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[(1S)-1-cyano-2-methylpropyl]amino]-2-oxoethyl]-(phenylmethoxymethyl)ammonium IUPAC Name: [2-[[(1S)-1-cyano-2-methylpropyl]amino]-2-oxoethyl]-(phenylmethoxymethyl)azanium Traditional Name: benzoxymethyl-[2-[[(1S)-1-cyano-2-methyl-propyl]amino]-2-keto-ethyl]ammonium Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)NC(=O)C[NH2+]COCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C#N)NC(=O)C[NH2+]COCC1=CC=CC=C1

InChI

InChI=1S/C15H21N3O2/c1-12(2)14(8-16)18-15(19)9-17-11-20-10-13-6-4-3-5-7-13/h3-7,12,14,17H,9-11H2,1-2H3,(H,18,19)/p+1/t14-/m1/s1