2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O3/c1-15-4-2-7-18(25(27)28)20(15)22-19(26)14-24-10-8-23(9-11-24)13-16-5-3-6-17(21)12-16/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)/p+1