(1S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-oxidanidylpyridin-1-ium-2-yl)ethanol

Systemtic Name: (1S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-oxidanidylpyridin-1-ium-2-yl)ethanol Openeye Name: (1S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-oxidopyridin-1-ium-2-yl)ethanol CAS Name: (1S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-(1-oxido-2-pyridin-1-iumyl)ethanol IUPAC Name: (1S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-oxidopyridin-1-ium-2-yl)ethanol Traditional Name: (1S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-oxidopyridin-1-ium-2-yl)ethanol Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=[N+]2[O-])O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](C2=CC=CC=[N+]2[O-])O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H20ClN3O2/c18-14-4-3-5-15(12-14)20-10-8-19(9-11-20)13-17(22)16-6-1-2-7-21(16)23/h1-7,12,17,22H,8-11,13H2/p+1/t17-/m0/s1