3-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-(4-morpholin-4-iumyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-benzothiophene-2-carboxamide Formula: C16H19ClN3O4S+ MolecularWeight: 384.85776

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN3O4S/c17-14-12-3-2-11(20(22)23)10-13(12)25-15(14)16(21)18-4-1-5-19-6-8-24-9-7-19/h2-3,10H,1,4-9H2,(H,18,21)/p+1