N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide CAS Name: N-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-4-(1-pyridin-1-iumylmethyl)benzamide IUPAC Name: N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)NC(=O)C4=CC=C(C=C4)C[N+]5=CC=CC=C5

Isomeric SMILES

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)NC(=O)C4=CC=C(C=C4)C[N+]5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S/c1-31-21-10-9-20(29-13-15-32-16-14-29)23-22(21)26-25(33-23)27-24(30)19-7-5-18(6-8-19)17-28-11-3-2-4-12-28/h2-12H,13-17H2,1H3/p+1