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

Systemtic Name: 1-morpholin-4-yl-2-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-(4-nitro-3-piperidino-phenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H32N5O4+ MolecularWeight: 418.50988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O4/c27-21(25-12-14-30-15-13-25)17-22-8-10-23(11-9-22)18-4-5-19(26(28)29)20(16-18)24-6-2-1-3-7-24/h4-5,16H,1-3,6-15,17H2/p+1