[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethyl-azanium iodide

Systemtic Name: [(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethyl-azanium iodide Openeye Name: [(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethyl-ammonium iodide CAS Name: [(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylammonium iodide IUPAC Name: [(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylazanium iodide Traditional Name: [(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethyl-ammonium iodide Formula: C20H24INS MolecularWeight: 437.38073

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.[I-]

Isomeric SMILES

C[N+](C)(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.[I-]

InChI

InChI=1S/C20H24NS.HI/c1-21(2,3)14-8-12-18-17-10-5-4-9-16(17)15-22-20-13-7-6-11-19(18)20;/h4-7,9-13H,8,14-15H2,1-3H3;1H/q+1;/p-1/b18-12-;