(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-(3-ethylphenoxy)propan-2-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)O

InChI

InChI=1S/C23H32N2O3/c1-3-19-8-7-9-21(16-19)28-18-20(26)17-24-12-14-25(15-13-24)22-10-5-6-11-23(22)27-4-2/h5-11,16,20,26H,3-4,12-15,17-18H2,1-2H3/p+1/t20-/m0/s1