1-[(10R)-5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(10R)-5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(10R)-5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(10R)-5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(10R)-5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(10R)-5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl]-4-methyl-piperazine-1,4-diium Formula: C17H22N2S2+2 MolecularWeight: 318.49998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2C3=C(SCC4=CC=CC=C24)SC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H]2C3=C(SCC4=CC=CC=C24)SC=C3

InChI

InChI=1S/C17H20N2S2/c1-18-7-9-19(10-8-18)16-14-5-3-2-4-13(14)12-21-17-15(16)6-11-20-17/h2-6,11,16H,7-10,12H2,1H3/p+2/t16-/m1/s1