4-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide Openeye Name: 4-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide CAS Name: 4-[(3-chlorophenyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzamide IUPAC Name: 4-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzamide Traditional Name: 4-[(3-chlorophenyl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzamide Formula: C20H23ClN3O4S+ MolecularWeight: 436.93232

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4S/c21-16-3-1-4-17(14-16)29-19-6-5-15(13-18(19)24(26)27)20(25)22-7-2-8-23-9-11-28-12-10-23/h1,3-6,13-14H,2,7-12H2,(H,22,25)/p+1