(1-azanyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone

Systemtic Name: (1-azanyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone Openeye Name: [1-amino-5-(1-piperidyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl]-phenyl-methanone CAS Name: [1-amino-5-(1-piperidinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl]-phenylmethanone IUPAC Name: (1-amino-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenylmethanone Traditional Name: (1-amino-5-piperidino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=[NH+]2)C(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=[NH+]2)C(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C23H25N3OS/c24-19-18-16-11-5-6-12-17(16)22(26-13-7-2-8-14-26)25-23(18)28-21(19)20(27)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14,24H2/p+1