[(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[ethyl-[2-(4-pyridyl)ethyl]carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[ethyl-[2-(4-pyridyl)ethyl]carbamoyl]-2-methyl-propyl]ammonium Formula: C14H24N3O+ MolecularWeight: 250.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=NC=C1)C(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CCN(CCC1=CC=NC=C1)C(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C14H23N3O/c1-4-17(14(18)13(15)11(2)3)10-7-12-5-8-16-9-6-12/h5-6,8-9,11,13H,4,7,10,15H2,1-3H3/p+1/t13-/m0/s1