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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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