N-(5-chloranyl-2-nitro-phenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-nitro-phenyl)acetamide Formula: C19H21Cl2N4O3+ MolecularWeight: 424.30104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20Cl2N4O3/c20-15-3-1-2-14(10-15)12-23-6-8-24(9-7-23)13-19(26)22-17-11-16(21)4-5-18(17)25(27)28/h1-5,10-11H,6-9,12-13H2,(H,22,26)/p+1