2-[(2S)-4-(furan-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(furan-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(3-furylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-furanylmethyl)-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(furan-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-furfuryl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=COC=C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=COC=C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H28N2O2/c23-13-8-20-16-21(15-19-9-14-24-17-19)11-12-22(20)10-4-7-18-5-2-1-3-6-18/h1-3,5-6,9,14,17,20,23H,4,7-8,10-13,15-16H2/p+1/t20-/m0/s1