(2-morpholin-4-yl-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (2-morpholin-4-yl-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (2-morpholino-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [2-(4-morpholinyl)-5-nitrophenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-morpholin-4-yl-5-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (2-morpholino-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C20H24N5O4+ MolecularWeight: 398.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H23N5O4/c26-20(24-9-7-22(8-10-24)16-3-5-21-6-4-16)18-15-17(25(27)28)1-2-19(18)23-11-13-29-14-12-23/h1-6,15H,7-14H2/p+1