N-(4-chloranyl-2-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4O3/c19-14-6-7-16(17(12-14)23(25)26)20-18(24)13-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,24)/p+1