N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4H-thieno[3,2-c][1]benzopyran-2-carboxamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide Traditional Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

InChI

InChI=1S/C23H24N4O2S/c1-26-8-10-27(11-9-26)21-7-6-16(13-24-21)14-25-23(28)20-12-17-15-29-19-5-3-2-4-18(19)22(17)30-20/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28)/p+1