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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol Formula: C23H32ClN2O2+ MolecularWeight: 403.96538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O2/c1-17(2)23-8-7-22(13-18(23)3)28-16-21(27)15-25-9-11-26(12-10-25)20-6-4-5-19(24)14-20/h4-8,13-14,17,21,27H,9-12,15-16H2,1-3H3/p+1/t21-/m0/s1