(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(2-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(COC3=CC=CC=C3C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@@H](COC3=CC=CC=C3C)O

InChI

InChI=1S/C21H27ClN2O2/c1-16-7-8-18(22)13-20(16)24-11-9-23(10-12-24)14-19(25)15-26-21-6-4-3-5-17(21)2/h3-8,13,19,25H,9-12,14-15H2,1-2H3/p+1/t19-/m0/s1