1-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]ethanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CN2CC[NH+](C(C2)CCO)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CN2CC[NH+]([C@H](C2)CCO)C

InChI

InChI=1S/C16H24N2O2/c1-13(20)15-5-3-4-14(10-15)11-18-8-7-17(2)16(12-18)6-9-19/h3-5,10,16,19H,6-9,11-12H2,1-2H3/p+1/t16-/m0/s1