8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thieno[3,2-c]quinoline-2-carboxamide

Systemtic Name: 8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thieno[3,2-c]quinoline-2-carboxamide Openeye Name: 8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thieno[3,2-c]quinoline-2-carboxamide CAS Name: 8-methoxy-N-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-2-thieno[3,2-c]quinolinecarboxamide IUPAC Name: 8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide Traditional Name: 8-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thieno[3,2-c]quinoline-2-carboxamide Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C3C(=CN=C2C=C1)C(=C(S3)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C3C(=CN=C2C=C1)C(=C(S3)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c1-31-19-8-9-22-20(16-19)24-21(17-28-22)23(18-6-3-2-4-7-18)25(33-24)26(30)27-10-5-11-29-12-14-32-15-13-29/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,27,30)/p+1