[(1R,2R)-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(1R,2R)-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(1R,2R)-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(1R,2R)-1-phenyl-2-(4-propyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(1R,2R)-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(1R,2R)-1-phenyl-2-(4-propylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(CC)C(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@H](CC)[C@@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H29N3/c1-3-10-19-11-13-20(14-12-19)16(4-2)17(18)15-8-6-5-7-9-15/h5-9,16-17H,3-4,10-14,18H2,1-2H3/p+2/t16-,17-/m1/s1