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

Systemtic Name: (2S)-1-[4-(3,4-dimethylphenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: (2S)-1-[4-(3,4-dimethylphenyl)piperazin-1-ium-1-yl]-3-(2-naphthyloxy)propan-2-ol CAS Name: (2S)-1-[4-(3,4-dimethylphenyl)-1-piperazin-1-iumyl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: (2S)-1-[4-(3,4-dimethylphenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: (2S)-1-[4-(3,4-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=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC4=CC=CC=C4C=C3)O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2/c1-19-7-9-23(15-20(19)2)27-13-11-26(12-14-27)17-24(28)18-29-25-10-8-21-5-3-4-6-22(21)16-25/h3-10,15-16,24,28H,11-14,17-18H2,1-2H3/p+1/t24-/m0/s1