1-azanyl-5-piperidin-1-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide

Systemtic Name: 1-azanyl-5-piperidin-1-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-5-(1-piperidyl)-N-(2-pyridyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-5-(1-piperidinyl)-N-(2-pyridinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-5-piperidin-1-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-5-piperidino-N-(2-pyridyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=[NH+]2)C(=O)NC5=CC=CC=N5)N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=[NH+]2)C(=O)NC5=CC=CC=N5)N

InChI

InChI=1S/C22H25N5OS/c23-18-17-14-8-2-3-9-15(14)20(27-12-6-1-7-13-27)26-22(17)29-19(18)21(28)25-16-10-4-5-11-24-16/h4-5,10-11H,1-3,6-9,12-13,23H2,(H,24,25,28)/p+1