1-morpholin-4-yl-2-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[4-nitro-3-(1-pyrrolidinyl)phenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-(4-nitro-3-pyrrolidino-phenyl)piperazin-1-ium-1-yl]ethanone Formula: C20H30N5O4+ MolecularWeight: 404.4833

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c26-20(24-11-13-29-14-12-24)16-21-7-9-22(10-8-21)17-3-4-18(25(27)28)19(15-17)23-5-1-2-6-23/h3-4,15H,1-2,5-14,16H2/p+1