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

Systemtic Name: 1-methyl-4-[7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ylidene]piperidin-1-ium Openeye Name: 1-methyl-4-[7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ylidene]piperidin-1-ium CAS Name: 1-methyl-4-[7-(1-methyl-4-piperidin-1-iumyl)-5H-thieno[2,3-c][2]benzothiepin-10-ylidene]piperidin-1-ium IUPAC Name: 1-methyl-4-[7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ylidene]piperidin-1-ium Traditional Name: 1-methyl-4-[7-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ylidene]piperidin-1-ium Formula: C24H32N2S2+2 MolecularWeight: 412.65428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CC3=C(C=C2)C(=C4CC[NH+](CC4)C)C5=C(SC3)SC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CC3=C(C=C2)C(=C4CC[NH+](CC4)C)C5=C(SC3)SC=C5

InChI

InChI=1S/C24H30N2S2/c1-25-10-5-17(6-11-25)19-3-4-21-20(15-19)16-28-24-22(9-14-27-24)23(21)18-7-12-26(2)13-8-18/h3-4,9,14-15,17H,5-8,10-13,16H2,1-2H3/p+2