2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-chlorobenzyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C18H28ClN2O+ MolecularWeight: 323.88072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O/c1-15(2)7-9-21-11-10-20(14-18(21)8-12-22)13-16-3-5-17(19)6-4-16/h3-7,18,22H,8-14H2,1-2H3/p+1/t18-/m0/s1