6-(1-benzothiophen-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-2-morpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(1-benzothiophen-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-2-morpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: 6-(benzothiophen-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-2-morpholino-pyridin-1-ium-3-carboxamide CAS Name: 6-(1-benzothiophen-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-2-(4-morpholinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(1-benzothiophen-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-2-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: 6-(benzothiophen-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-2-morpholino-pyridin-1-ium-3-carboxamide Formula: C26H26N3O3S+ MolecularWeight: 460.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC(=[NH+]2)C3=CC4=CC=CC=C4S3)C(=O)NCCC5=CC=C(C=C5)O

Isomeric SMILES

C1COCCN1C2=C(C=CC(=[NH+]2)C3=CC4=CC=CC=C4S3)C(=O)NCCC5=CC=C(C=C5)O

InChI

InChI=1S/C26H25N3O3S/c30-20-7-5-18(6-8-20)11-12-27-26(31)21-9-10-22(28-25(21)29-13-15-32-16-14-29)24-17-19-3-1-2-4-23(19)33-24/h1-10,17,30H,11-16H2,(H,27,31)/p+1