(2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C(C)C

InChI

InChI=1S/C23H32N2O2/c1-18(2)23-10-9-22(15-19(23)3)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,18,21,26H,11-14,16-17H2,1-3H3/p+1/t21-/m0/s1