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

Systemtic Name: (2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3/c1-16-13-20(7-8-21(16)22)27-15-18(25)14-23-9-11-24(12-10-23)17-3-5-19(26-2)6-4-17/h3-8,13,18,25H,9-12,14-15H2,1-2H3/p+1/t18-/m0/s1