[(2S)-1-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: [(2S)-1-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-1-phenyl-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C18H26N4+2 MolecularWeight: 298.42584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=CC=C2)[NH3+])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C[C@H](CC2=CC=CC=C2)[NH3+])C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H24N4/c19-17(14-16-6-2-1-3-7-16)15-21-10-12-22(13-11-21)18-8-4-5-9-20-18/h1-9,17H,10-15,19H2/p+2/t17-/m0/s1