2-[4-[(4-chloranyl-3-nitro-phenyl)methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[(4-chloranyl-3-nitro-phenyl)methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(4-chloro-3-nitro-phenyl)methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(4-chloro-3-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(4-chloro-3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(4-chloro-3-nitro-benzyl)piperazin-4-ium-1-yl]ethanol Formula: C13H19ClN3O3+ MolecularWeight: 300.76126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])CCO

InChI

InChI=1S/C13H18ClN3O3/c14-12-2-1-11(9-13(12)17(19)20)10-16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10H2/p+1