(2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-3-(2-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC=CC=C3C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@@H](COC3=CC=CC=C3C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O3/c1-30-26-14-8-6-12-24(26)28-17-15-27(16-18-28)19-22(29)20-31-25-13-7-5-11-23(25)21-9-3-2-4-10-21/h2-14,22,29H,15-20H2,1H3/p+1/t22-/m0/s1