[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Formula: C20H23ClN3O5+ MolecularWeight: 420.86672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O5/c1-28-19-7-4-16(24(26)27)14-18(19)20(25)23-10-8-22(9-11-23)12-13-29-17-5-2-15(21)3-6-17/h2-7,14H,8-13H2,1H3/p+1