N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C21H28N4O4+2 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC)[N+](=O)[O-]

InChI

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