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

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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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(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-16-5-4-6-19(13-16)14-24-9-11-25(12-10-24)15-21(27)23-22-18(3)17(2)7-8-20(22)26(28)29/h4-8,13H,9-12,14-15H2,1-3H3,(H,23,27)/p+2