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

Systemtic Name: 4-(methylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Formula: C18H22N5O4+ MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-19-15-4-3-14(10-16(15)23(25)26)18(24)21-12-13-2-5-17(20-11-13)22-6-8-27-9-7-22/h2-5,10-11,19H,6-9,12H2,1H3,(H,21,24)/p+1