[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-prop-2-enyl-azanium

Systemtic Name: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-prop-2-enyl-azanium Openeye Name: allyl-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-ammonium CAS Name: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-prop-2-enylammonium IUPAC Name: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-prop-2-enylazanium Traditional Name: allyl-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-ammonium Formula: C21H24NS+ MolecularWeight: 322.48696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31)CC=C

Isomeric SMILES

C[NH+](CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31)CC=C

InChI

InChI=1S/C21H23NS/c1-3-14-22(2)15-8-12-19-18-10-5-4-9-17(18)16-23-21-13-7-6-11-20(19)21/h3-7,9-13H,1,8,14-16H2,2H3/p+1/b19-12+