[4-[[6-[[(2S)-butan-2-yl]amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-[[(2S)-butan-2-yl]amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[[(1S)-1-methylpropyl]amino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[[(2S)-butan-2-yl]amino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[[(2S)-butan-2-yl]amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[[6-[[(1S)-1-methylpropyl]amino]-3-pyridyl]amino]butyl]ammonium Formula: C13H23N4O+ MolecularWeight: 251.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=C(C=C1)NC(=O)CCC[NH3+]

Isomeric SMILES

CC[C@H](C)NC1=NC=C(C=C1)NC(=O)CCC[NH3+]

InChI

InChI=1S/C13H22N4O/c1-3-10(2)16-12-7-6-11(9-15-12)17-13(18)5-4-8-14/h6-7,9-10H,3-5,8,14H2,1-2H3,(H,15,16)(H,17,18)/p+1/t10-/m0/s1