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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Formula: C23H30N5O4+ MolecularWeight: 440.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-17-6-8-26(9-7-17)20-4-3-19(14-21(20)28(30)31)23(29)25-16-18-2-5-22(24-15-18)27-10-12-32-13-11-27/h2-5,14-15,17H,6-13,16H2,1H3,(H,25,29)/p+1