N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H27N6O6S+ MolecularWeight: 491.54068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O6S/c28-21(23-16-17-3-2-6-22-20(17)24-11-13-33-14-12-24)25-7-9-26(10-8-25)34(31,32)19-5-1-4-18(15-19)27(29)30/h1-6,15H,7-14,16H2,(H,23,28)/p+1