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

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C21H28N4O3+2 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O3/c1-16-5-3-7-18(13-16)14-23-9-11-24(12-10-23)15-20(26)22-21-17(2)6-4-8-19(21)25(27)28/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)/p+2