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

Systemtic Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-chlorobenzyl)-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C18H30ClN2O+ MolecularWeight: 325.8966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O/c1-15(2)7-9-21-11-10-20(14-18(21)8-12-22)13-16-3-5-17(19)6-4-16/h3-6,15,18,22H,7-14H2,1-2H3/p+1/t18-/m0/s1