(2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazino-propan-1-one Formula: C13H27N4O2+ MolecularWeight: 271.37908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)[NH+]2CCN(CC2)CCO

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)[NH+]2CCN(CC2)CCO

InChI

InChI=1S/C13H26N4O2/c1-12(13(19)17-4-2-14-3-5-17)16-8-6-15(7-9-16)10-11-18/h12,14,18H,2-11H2,1H3/p+1/t12-/m0/s1