2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-3-ium-4-yl]amino]ethanol

Systemtic Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-3-ium-4-yl]amino]ethanol Openeye Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-3-ium-4-yl]amino]ethanol CAS Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-quinazolin-3-iumyl]amino]ethanol IUPAC Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-3-ium-4-yl]amino]ethanol Traditional Name: 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-3-ium-4-yl]amino]ethanol Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCCO

Isomeric SMILES

C1CN(CC2=C1SC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCCO

InChI

InChI=1S/C17H18N4OS/c22-9-7-18-16-13-3-1-2-4-14(13)19-17(20-16)21-8-5-15-12(11-21)6-10-23-15/h1-4,6,10,22H,5,7-9,11H2,(H,18,19,20)/p+1