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

Systemtic Name: (2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: (2R)-1-benzyloxy-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-phenylmethoxy-2-propanol IUPAC Name: (2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-phenylmethoxypropan-2-ol Traditional Name: (2R)-1-benzoxy-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]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(COCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](COCC3=CC=CC=C3)O

InChI

InChI=1S/C21H27ClN2O2/c1-17-7-8-19(22)13-21(17)24-11-9-23(10-12-24)14-20(25)16-26-15-18-5-3-2-4-6-18/h2-8,13,20,25H,9-12,14-16H2,1H3/p+1/t20-/m1/s1