(1S)-1-(3,4-dichlorophenyl)-2-piperazin-4-ium-1-yl-ethanol

Systemtic Name: (1S)-1-(3,4-dichlorophenyl)-2-piperazin-4-ium-1-yl-ethanol Openeye Name: (1S)-1-(3,4-dichlorophenyl)-2-piperazin-4-ium-1-yl-ethanol CAS Name: (1S)-1-(3,4-dichlorophenyl)-2-(1-piperazin-4-iumyl)ethanol IUPAC Name: (1S)-1-(3,4-dichlorophenyl)-2-piperazin-4-ium-1-ylethanol Traditional Name: (1S)-1-(3,4-dichlorophenyl)-2-piperazin-4-ium-1-yl-ethanol Formula: C12H17Cl2N2O+ MolecularWeight: 276.18218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC(C2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

C1CN(CC[NH2+]1)C[C@H](C2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C12H16Cl2N2O/c13-10-2-1-9(7-11(10)14)12(17)8-16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2/p+1/t12-/m1/s1