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

Systemtic Name: 2-[(2S)-4-[(E)-3-phenylprop-2-enyl]-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(E)-cinnamyl]-1-isopropyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(E)-3-phenylprop-2-enyl]-1-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(E)-3-phenylprop-2-enyl]-1-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(E)-cinnamyl]-1-isopropyl-piperazin-4-ium-2-yl]ethanol Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC[NH+](CC1CCO)CC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)N1CC[NH+](C[C@@H]1CCO)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H28N2O/c1-16(2)20-13-12-19(15-18(20)10-14-21)11-6-9-17-7-4-3-5-8-17/h3-9,16,18,21H,10-15H2,1-2H3/p+1/b9-6+/t18-/m0/s1