(2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2R)-1-(2-allylphenoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2R)-1-(2-allylphenoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H30ClN2O2+ MolecularWeight: 401.9495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(COC3=CC=CC=C3CC=C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3CC=C)O

InChI

InChI=1S/C23H29ClN2O2/c1-3-6-19-7-4-5-8-23(19)28-17-21(27)16-25-11-13-26(14-12-25)22-15-20(24)10-9-18(22)2/h3-5,7-10,15,21,27H,1,6,11-14,16-17H2,2H3/p+1/t21-/m1/s1