8-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-4H-1,3-benzodioxin-6-amine Openeye Name: 8-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-4H-1,3-benzodioxin-6-amine CAS Name: 8-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-4H-1,3-benzodioxin-6-amine Traditional Name: [8-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-4H-1,3-benzodioxin-6-yl]amine Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1SC=C2)CC3=C4C(=CC(=C3)N)COCO4

Isomeric SMILES

C1C[NH+](CC2=C1SC=C2)CC3=C4C(=CC(=C3)N)COCO4

InChI

InChI=1S/C16H18N2O2S/c17-14-5-12(16-13(6-14)9-19-10-20-16)8-18-3-1-15-11(7-18)2-4-21-15/h2,4-6H,1,3,7-10,17H2/p+1