4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1,1-dimethyl-piperidin-1-ium

Systemtic Name: 4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1,1-dimethyl-piperidin-1-ium Openeye Name: 4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1,1-dimethyl-piperidin-1-ium CAS Name: 4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1,1-dimethylpiperidin-1-ium IUPAC Name: 4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1,1-dimethylpiperidin-1-ium Traditional Name: 4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1,1-dimethyl-piperidin-1-ium Formula: C19H24NS2+ MolecularWeight: 330.53056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24NS2/c1-20(2)10-7-14(8-11-20)18-16-6-4-3-5-15(16)13-22-19-17(18)9-12-21-19/h3-6,9,12,14,18H,7-8,10-11,13H2,1-2H3/q+1