[(2S)-1-oxidanylidene-1-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyridyl]amino]ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[[5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-pyridinyl]amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-1-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[5-(4-pyridin-1-ium-2-ylpiperazino)-2-pyridyl]amino]ethyl]ammonium Formula: C17H24N6O+2 MolecularWeight: 328.41206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[NH3+]

InChI

InChI=1S/C17H22N6O/c1-13(18)17(24)21-15-6-5-14(12-20-15)22-8-10-23(11-9-22)16-4-2-3-7-19-16/h2-7,12-13H,8-11,18H2,1H3,(H,20,21,24)/p+2/t13-/m0/s1