N-(4-cyclopentyloxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-cyclopentyloxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(cyclopentoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(4-cyclopentyloxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(4-cyclopentyloxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(cyclopentoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-25-12-14-26(15-13-25)21-11-6-17(16-22(21)27(29)30)23(28)24-18-7-9-20(10-8-18)31-19-4-2-3-5-19/h6-11,16,19H,2-5,12-15H2,1H3,(H,24,28)/p+1