(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol

Systemtic Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(2-naphthyloxy)propan-2-ol CAS Name: (2R)-1-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(2-naphthoxy)propan-2-ol Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(COC3=CC4=CC=CC=C4C=C3)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C[C@H](COC3=CC4=CC=CC=C4C=C3)O)C

InChI

InChI=1S/C25H30N2O2/c1-19-6-5-9-25(20(19)2)27-14-12-26(13-15-27)17-23(28)18-29-24-11-10-21-7-3-4-8-22(21)16-24/h3-11,16,23,28H,12-15,17-18H2,1-2H3/p+1/t23-/m1/s1