[(2S)-1-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[2-cyanoethyl(3-pyridylmethyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[2-cyanoethyl(3-pyridinylmethyl)amino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[2-cyanoethyl(3-pyridylmethyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C15H23N4O+ MolecularWeight: 275.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(CCC#N)CC1=CN=CC=C1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N(CCC#N)CC1=CN=CC=C1)[NH3+]

InChI

InChI=1S/C15H22N4O/c1-12(2)9-14(17)15(20)19(8-4-6-16)11-13-5-3-7-18-10-13/h3,5,7,10,12,14H,4,8-9,11,17H2,1-2H3/p+1/t14-/m0/s1