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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22ClN4O4+ MolecularWeight: 405.85538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O4/c1-28-18-5-3-2-4-16(18)23-10-8-22(9-11-23)13-19(25)21-14-6-7-15(20)17(12-14)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)/p+1