2-[4-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H31N4O7+ MolecularWeight: 451.49344

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OC

InChI

InChI=1S/C21H30N4O7/c1-30-11-12-32-19-14-17(25(28)29)16(13-18(19)31-2)21(27)24-9-7-22(8-10-24)15-20(26)23-5-3-4-6-23/h13-14H,3-12,15H2,1-2H3/p+1