N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzothiophene-2-carboxamide Formula: C15H18N3O4S+ MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c19-15(16-3-4-17-5-7-22-8-6-17)14-10-11-9-12(18(20)21)1-2-13(11)23-14/h1-2,9-10H,3-8H2,(H,16,19)/p+1