[(1S)-2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethyl]azanium

Systemtic Name: [(1S)-2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[4-(2-furfuryl)piperazin-4-ium-1-yl]-1-phenyl-ethyl]ammonium Formula: C17H25N3O+2 MolecularWeight: 287.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC(C3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C[C@H](C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C17H23N3O/c18-17(15-5-2-1-3-6-15)14-20-10-8-19(9-11-20)13-16-7-4-12-21-16/h1-7,12,17H,8-11,13-14,18H2/p+2/t17-/m1/s1