N-[[3-methyl-7-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[[3-methyl-7-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanyl-benzamide Openeye Name: N-[[3-methyl-7-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanyl-benzamide CAS Name: N-[[3-methyl-7-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-(methylthio)benzamide IUPAC Name: N-[[3-methyl-7-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide Traditional Name: N-[[3-methyl-7-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-(methylthio)benzamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CN1)CN2CCC3=C(C(=NC=C3C2)C)CNC(=O)C4=CC=CC=C4SC

Isomeric SMILES

CC1=C([NH+]=CN1)CN2CCC3=C(C(=NC=C3C2)C)CNC(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C23H27N5OS/c1-15-20(11-25-23(29)19-6-4-5-7-22(19)30-3)18-8-9-28(12-17(18)10-24-15)13-21-16(2)26-14-27-21/h4-7,10,14H,8-9,11-13H2,1-3H3,(H,25,29)(H,26,27)/p+1