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

Systemtic Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-isopropylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-isopropylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C23H32N2O3/c1-18(2)22-6-4-5-7-23(22)28-17-20(26)16-24-12-14-25(15-13-24)19-8-10-21(27-3)11-9-19/h4-11,18,20,26H,12-17H2,1-3H3/p+1/t20-/m0/s1