2-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-(furan-2-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-(furan-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-(2-furylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3,6-dimethyl-2-pyrazinyl)-1-(2-furanylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-(furan-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-(2-furfuryl)piperazin-1-ium-2-yl]ethanol Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)N2CC[NH+](C(C2)CCO)CC3=CC=CO3)C

Isomeric SMILES

CC1=CN=C(C(=N1)N2CC[NH+]([C@H](C2)CCO)CC3=CC=CO3)C

InChI

InChI=1S/C17H24N4O2/c1-13-10-18-14(2)17(19-13)21-7-6-20(15(11-21)5-8-22)12-16-4-3-9-23-16/h3-4,9-10,15,22H,5-8,11-12H2,1-2H3/p+1/t15-/m0/s1