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

Systemtic Name: 4-(2-chlorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide Openeye Name: 4-(2-chlorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzamide CAS Name: 4-[(2-chlorophenyl)thio]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(2-chlorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzamide Traditional Name: 4-[(2-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=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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