N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H30N4O4+2 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H28N4O4/c1-16-4-9-20(26(28)29)22(17(16)2)23-21(27)15-25-12-10-24(11-13-25)14-18-5-7-19(30-3)8-6-18/h4-9H,10-15H2,1-3H3,(H,23,27)/p+2