1-azanyl-5-piperidin-1-yl-N-(1,3-thiazol-3-ium-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

Systemtic Name: 1-azanyl-5-piperidin-1-yl-N-(1,3-thiazol-3-ium-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Openeye Name: 1-amino-5-(1-piperidyl)-N-thiazol-3-ium-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide CAS Name: 1-amino-5-(1-piperidinyl)-N-(2-thiazol-3-iumyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide IUPAC Name: 1-amino-5-piperidin-1-yl-N-(1,3-thiazol-3-ium-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Traditional Name: 1-amino-5-piperidino-N-thiazol-3-ium-2-yl-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxamide Formula: C20H24N5OS2+ MolecularWeight: 414.56746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=N2)C(=O)NC5=[NH+]C=CS5)N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=N2)C(=O)NC5=[NH+]C=CS5)N

InChI

InChI=1S/C20H23N5OS2/c21-15-14-12-6-2-3-7-13(12)17(25-9-4-1-5-10-25)23-19(14)28-16(15)18(26)24-20-22-8-11-27-20/h8,11H,1-7,9-10,21H2,(H,22,24,26)/p+1