2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O3/c1-15-6-5-9-18(16(15)2)23-12-10-22(11-13-23)14-20(25)21-17-7-3-4-8-19(17)24(26)27/h3-9H,10-14H2,1-2H3,(H,21,25)/p+1