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

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-isopropylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-isopropylphenoxy)propan-2-ol Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H32N2O2/c1-19(2)22-10-6-7-11-23(22)27-18-21(26)17-25-14-12-24(13-15-25)16-20-8-4-3-5-9-20/h3-11,19,21,26H,12-18H2,1-2H3/p+1/t21-/m0/s1