7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-one

Systemtic Name: 7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-one Openeye Name: 7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-one CAS Name: 7-(1-methyl-4-piperidin-1-iumyl)-5H-thieno[2,3-c][2]benzothiepin-10-one IUPAC Name: 7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-one Traditional Name: 7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-one Formula: C18H20NOS2+ MolecularWeight: 330.4875

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CC3=C(C=C2)C(=O)C4=C(SC3)SC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CC3=C(C=C2)C(=O)C4=C(SC3)SC=C4

InChI

InChI=1S/C18H19NOS2/c1-19-7-4-12(5-8-19)13-2-3-15-14(10-13)11-22-18-16(17(15)20)6-9-21-18/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3/p+1