2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(5-methyl-2-furanyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C16H25N4O2+ MolecularWeight: 305.3953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)CC3=CC=NN3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC=NN3

InChI

InChI=1S/C16H24N4O2/c1-13-2-3-16(22-13)12-20-8-7-19(11-15(20)5-9-21)10-14-4-6-17-18-14/h2-4,6,15,21H,5,7-12H2,1H3,(H,17,18)/p+1/t15-/m0/s1