2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O4/c1-3-29-19-10-5-4-8-17(19)24-13-11-23(12-14-24)15-20(26)22-21-16(2)7-6-9-18(21)25(27)28/h4-10H,3,11-15H2,1-2H3,(H,22,26)/p+1