[(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(2-furylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: [(2S)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-(2-furfuryl)piperazin-4-ium-1-yl]ethyl]ammonium Formula: C18H27N3O+2 MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C18H25N3O/c19-17(13-16-5-2-1-3-6-16)14-20-8-10-21(11-9-20)15-18-7-4-12-22-18/h1-7,12,17H,8-11,13-15,19H2/p+2/t17-/m0/s1