N-[(2-chlorophenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O3/c20-18-4-2-1-3-15(18)13-21-19(25)14-22-9-11-23(12-10-22)16-5-7-17(8-6-16)24(26)27/h1-8H,9-14H2,(H,21,25)/p+1