[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C20H23ClN3O4+ MolecularWeight: 404.86732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4/c1-2-28-19-8-5-16(13-18(19)24(26)27)20(25)23-11-9-22(10-12-23)14-15-3-6-17(21)7-4-15/h3-8,13H,2,9-12,14H2,1H3/p+1