[4-(4-methylpiperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepin-2-yl]methanol

Systemtic Name: [4-(4-methylpiperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepin-2-yl]methanol Openeye Name: [4-(4-methylpiperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepin-2-yl]methanol CAS Name: [4-(4-methyl-1-piperazin-4-iumyl)-5H-thieno[3,2-c][1,5]benzodiazepin-2-yl]methanol IUPAC Name: [4-(4-methylpiperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepin-2-yl]methanol Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepin-2-yl]methanol Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(SC3=NC4=CC=CC=C4N2)CO

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(SC3=NC4=CC=CC=C4N2)CO

InChI

InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,18,22H,6-9,11H2,1H3/p+1