N-(2-chloranyl-5-nitro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C13H18ClN4O3+ MolecularWeight: 313.76002

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H17ClN4O3/c1-16-4-6-17(7-5-16)9-13(19)15-12-8-10(18(20)21)2-3-11(12)14/h2-3,8H,4-7,9H2,1H3,(H,15,19)/p+1