N-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide

Systemtic Name: N-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Openeye Name: N-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide CAS Name: N-(3-chlorophenyl)-4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitrobenzamide IUPAC Name: N-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitrobenzamide Traditional Name: N-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Formula: C20H24ClN4O4+ MolecularWeight: 419.88196

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O4/c21-16-3-1-4-17(14-16)23-20(26)15-5-6-18(19(13-15)25(27)28)22-7-2-8-24-9-11-29-12-10-24/h1,3-6,13-14,22H,2,7-12H2,(H,23,26)/p+1