4-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide Openeye Name: 4-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide CAS Name: 4-[(3-chlorophenyl)thio]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzamide Traditional Name: 4-[(3-chlorophenyl)thio]-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide Formula: C19H21ClN3O4S+ MolecularWeight: 422.90574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c20-15-2-1-3-16(13-15)28-18-5-4-14(12-17(18)23(25)26)19(24)21-6-7-22-8-10-27-11-9-22/h1-5,12-13H,6-11H2,(H,21,24)/p+1