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

Systemtic Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]phenyl]ethanone Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H28N2O2/c1-14(2)20-9-8-19(13-18(20)7-10-21)12-16-5-4-6-17(11-16)15(3)22/h4-6,11,14,18,21H,7-10,12-13H2,1-3H3/p+1/t18-/m0/s1