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

Systemtic Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC=CC=C3CC=C)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@@H](COC3=CC=CC=C3CC=C)O

InChI

InChI=1S/C23H30N2O3/c1-3-8-19-9-4-6-11-22(19)28-18-20(26)17-24-13-15-25(16-14-24)21-10-5-7-12-23(21)27-2/h3-7,9-12,20,26H,1,8,13-18H2,2H3/p+1/t20-/m0/s1