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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC(C[NH+]1CCN(CC1)C2=CC=CC=C2OC)O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](COC[C@H](C[NH+]1CCN(CC1)C2=CC=CC=C2OC)O)C3=CC=CC=C3

InChI

InChI=1S/C23H32N2O3/c1-19(20-8-4-3-5-9-20)17-28-18-21(26)16-24-12-14-25(15-13-24)22-10-6-7-11-23(22)27-2/h3-11,19,21,26H,12-18H2,1-2H3/p+1/t19-,21+/m1/s1