[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-(4-pyridylmethyl)ammonium CAS Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]-(4-pyridylmethyl)ammonium Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH2+]CC1=CC=NC=C1

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH2+]CC1=CC=NC=C1

InChI

InChI=1S/C12H19N3O/c1-3-10(2)15-12(16)9-14-8-11-4-6-13-7-5-11/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1