[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3O4/c1-27-18-6-5-16(23(25)26)12-17(18)19(24)22-9-7-21(8-10-22)13-14-3-2-4-15(20)11-14/h2-6,11-12H,7-10,13H2,1H3/p+1