2-[(2S)-4-(3-phenylprop-2-ynyl)-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O/c1-16(2)20-13-12-19(15-18(20)10-14-21)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18,21H,10-15H2,1-2H3/p+1/t18-/m0/s1