[(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]ammonium Formula: C15H26N4O+2 MolecularWeight: 278.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

InChI

InChI=1S/C15H24N4O/c1-3-12(2)14(16)15(20)19-10-8-18(9-11-19)13-6-4-5-7-17-13/h4-7,12,14H,3,8-11,16H2,1-2H3/p+2/t12-,14-/m0/s1