2-[(2S)-4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenyl-allyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenyl-allyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C20H30ClN2O+ MolecularWeight: 349.918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O/c1-17(2)8-10-23-12-11-22(16-20(23)9-13-24)15-19(21)14-18-6-4-3-5-7-18/h3-8,14,20,24H,9-13,15-16H2,1-2H3/p+1/b19-14-/t20-/m0/s1