N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Openeye Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Traditional Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S2/c1-2-26-15-5-3-6-16-18(15)21-20(28-16)23(19(24)17-7-4-14-27-17)9-8-22-10-12-25-13-11-22/h3-7,14H,2,8-13H2,1H3/p+1