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

Systemtic Name: (2R)-1-(4-chloranyl-3-methyl-phenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chloro-3-methyl-phenoxy)propan-2-ol CAS Name: (2R)-1-(4-chloro-3-methylphenoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chloro-3-methyl-phenoxy)propan-2-ol Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-17-13-20(7-8-21(17)22)26-16-19(25)15-24-11-9-23(10-12-24)14-18-5-3-2-4-6-18/h2-8,13,19,25H,9-12,14-16H2,1H3/p+1/t19-/m1/s1