2-(2-methoxyethylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-nitro-benzamide

Systemtic Name: 2-(2-methoxyethylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-nitro-benzamide Openeye Name: 2-(2-methoxyethylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-nitro-benzamide CAS Name: 2-(2-methoxyethylamino)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(2-methoxyethylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-nitrobenzamide Traditional Name: 2-(2-methoxyethylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-nitro-benzamide Formula: C20H26N5O5+ MolecularWeight: 416.45094

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H25N5O5/c1-29-9-6-21-18-4-3-16(25(27)28)12-17(18)20(26)23-14-15-2-5-19(22-13-15)24-7-10-30-11-8-24/h2-5,12-13,21H,6-11,14H2,1H3,(H,23,26)/p+1