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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-isopropylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-isopropylphenoxy)propan-2-ol Formula: C22H30ClN2O2+ MolecularWeight: 389.9388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2/c1-17(2)18-6-8-22(9-7-18)27-16-21(26)15-24-10-12-25(13-11-24)20-5-3-4-19(23)14-20/h3-9,14,17,21,26H,10-13,15-16H2,1-2H3/p+1/t21-/m0/s1