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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O/c1-3-12(2)14(17)15(20)19(9-5-7-16)11-13-6-4-8-18-10-13/h4,6,8,10,12,14H,3,5,9,11,17H2,1-2H3/p+1/t12-,14-/m0/s1