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

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C22H26N4O3S+2 MolecularWeight: 426.53184

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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=CSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S/c1-16-5-4-7-19(26(28)29)22(16)23-21(27)14-25-11-9-24(10-12-25)13-17-15-30-20-8-3-2-6-18(17)20/h2-8,15H,9-14H2,1H3,(H,23,27)/p+2