2-[4-[3-[(4-chlorophenyl)methylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-[(4-chlorophenyl)methylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[(4-chlorophenyl)methylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[(4-chlorophenyl)methylamino]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[(4-chlorophenyl)methylamino]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[(4-chlorobenzyl)amino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C19H24ClN4O3+ MolecularWeight: 391.87186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN4O3/c20-16-3-1-15(2-4-16)14-21-18-13-17(5-6-19(18)24(26)27)23-9-7-22(8-10-23)11-12-25/h1-6,13,21,25H,7-12,14H2/p+1