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

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H28N4O4+2 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-16-4-3-5-19(25(27)28)21(16)22-20(26)15-24-12-10-23(11-13-24)14-17-6-8-18(29-2)9-7-17/h3-9H,10-15H2,1-2H3,(H,22,26)/p+2