4-chloranyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-nitro-benzamide Formula: C15H16ClN4O4S+ MolecularWeight: 383.82994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN4O4S/c16-12-2-1-10(7-13(12)20(22)23)14(21)18-15-17-11(9-25-15)8-19-3-5-24-6-4-19/h1-2,7,9H,3-6,8H2,(H,17,18,21)/p+1