[(3S)-3-(furan-2-yl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]azanium

Systemtic Name: [(3S)-3-(furan-2-yl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]azanium Openeye Name: [(3S)-3-(4-benzylpiperazin-1-ium-1-yl)-3-(2-furyl)propyl]ammonium CAS Name: [(3S)-3-(2-furanyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]ammonium IUPAC Name: [(3S)-3-(4-benzylpiperazin-1-ium-1-yl)-3-(furan-2-yl)propyl]azanium Traditional Name: [(3S)-3-(4-benzylpiperazin-1-ium-1-yl)-3-(2-furyl)propyl]ammonium Formula: C18H27N3O+2 MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CC[NH3+])C2=CC=CO2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CC[NH3+])C2=CC=CO2)CC3=CC=CC=C3

InChI

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