3,4-bis(chloranyl)-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-5-nitro-benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-5-nitro-benzamide Openeye Name: 3,4-dichloro-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-5-nitro-benzamide CAS Name: 3,4-dichloro-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-5-nitrobenzamide IUPAC Name: 3,4-dichloro-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-5-nitrobenzamide Traditional Name: 3,4-dichloro-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-5-nitro-benzamide Formula: C17H17Cl2N4O4+ MolecularWeight: 412.24728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=CC(=C(C(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=CC(=C(C(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16Cl2N4O4/c18-13-8-12(9-14(16(13)19)23(25)26)17(24)21-10-11-1-2-20-15(7-11)22-3-5-27-6-4-22/h1-2,7-9H,3-6,10H2,(H,21,24)/p+1