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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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