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

Systemtic Name: (2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(3-methoxyphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3/c1-16-6-7-17(22)12-21(16)24-10-8-23(9-11-24)14-18(25)15-27-20-5-3-4-19(13-20)26-2/h3-7,12-13,18,25H,8-11,14-15H2,1-2H3/p+1/t18-/m1/s1