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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5/c1-28-17-5-3-4-15(12-17)23-10-8-22(9-11-23)14-20(25)21-18-7-6-16(24(26)27)13-19(18)29-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,25)/p+1