N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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