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

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(3-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(=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

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