3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl-dimethyl-azanium Openeye Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl-dimethyl-ammonium CAS Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl-dimethylammonium IUPAC Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl-dimethylazanium Traditional Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl-dimethyl-ammonium Formula: C18H22NS2+ MolecularWeight: 316.50398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1C2=CC=CC=C2SC3=CC=CC=C3S1

Isomeric SMILES

C[NH+](C)CCCC1C2=CC=CC=C2SC3=CC=CC=C3S1

InChI

InChI=1S/C18H21NS2/c1-19(2)13-7-12-16-14-8-3-4-9-15(14)20-17-10-5-6-11-18(17)21-16/h3-6,8-11,16H,7,12-13H2,1-2H3/p+1