(1S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Formula: C19H24ClN2O+ MolecularWeight: 331.85966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C19H23ClN2O/c1-15-7-8-17(20)13-18(15)22-11-9-21(10-12-22)14-19(23)16-5-3-2-4-6-16/h2-8,13,19,23H,9-12,14H2,1H3/p+1/t19-/m1/s1