(2R)-1-[4-(4-methylphenyl)piperazin-1-ium-1-yl]-3-(4-methyl-2-prop-2-enyl-phenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(4-methylphenyl)piperazin-1-ium-1-yl]-3-(4-methyl-2-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: (2R)-1-(2-allyl-4-methyl-phenoxy)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(4-methylphenyl)-1-piperazin-1-iumyl]-3-(4-methyl-2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-methylphenyl)piperazin-1-ium-1-yl]-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2R)-1-(2-allyl-4-methyl-phenoxy)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3=C(C=C(C=C3)C)CC=C)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](COC3=C(C=C(C=C3)C)CC=C)O

InChI

InChI=1S/C24H32N2O2/c1-4-5-21-16-20(3)8-11-24(21)28-18-23(27)17-25-12-14-26(15-13-25)22-9-6-19(2)7-10-22/h4,6-11,16,23,27H,1,5,12-15,17-18H2,2-3H3/p+1/t23-/m1/s1