N-(6-methylpyridin-2-yl)-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-benzamide

Systemtic Name: N-(6-methylpyridin-2-yl)-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-benzamide Openeye Name: N-(6-methyl-2-pyridyl)-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-benzamide CAS Name: N-(6-methyl-2-pyridinyl)-2-[3-(4-morpholin-4-iumyl)propylamino]-5-nitrobenzamide IUPAC Name: N-(6-methylpyridin-2-yl)-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitrobenzamide Traditional Name: N-(6-methyl-2-pyridyl)-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-benzamide Formula: C20H26N5O4+ MolecularWeight: 400.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H25N5O4/c1-15-4-2-5-19(22-15)23-20(26)17-14-16(25(27)28)6-7-18(17)21-8-3-9-24-10-12-29-13-11-24/h2,4-7,14,21H,3,8-13H2,1H3,(H,22,23,26)/p+1