4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-N-(4-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-3-22-10-12-23(13-11-22)18-9-4-15(14-19(18)24(26)27)20(25)21-16-5-7-17(28-2)8-6-16/h4-9,14H,3,10-13H2,1-2H3,(H,21,25)/p+1