1-methyl-4-[(Z)-oct-2-en-3-yl]-3-prop-2-enyl-1H-pyridin-1-ium-2-thione

Systemtic Name: 1-methyl-4-[(Z)-oct-2-en-3-yl]-3-prop-2-enyl-1H-pyridin-1-ium-2-thione Openeye Name: 3-allyl-4-[(1Z)-1-ethylidenehexyl]-1-methyl-1H-pyridin-1-ium-2-thione CAS Name: 1-methyl-4-[(Z)-oct-2-en-3-yl]-3-prop-2-enyl-1H-pyridin-1-ium-2-thione IUPAC Name: 1-methyl-4-[(Z)-oct-2-en-3-yl]-3-prop-2-enyl-1H-pyridin-1-ium-2-thione Traditional Name: 3-allyl-4-[(Z)-1-amylprop-1-enyl]-1-methyl-1H-pyridin-1-ium-2-thione Formula: C17H26NS+ MolecularWeight: 276.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC)C1=C(C(=S)[NH+](C=C1)C)CC=C

Isomeric SMILES

CCCCC/C(=C/C)/C1=C(C(=S)[NH+](C=C1)C)CC=C

InChI

InChI=1S/C17H25NS/c1-5-8-9-11-14(7-3)15-12-13-18(4)17(19)16(15)10-6-2/h6-7,12-13H,2,5,8-11H2,1,3-4H3/p+1/b14-7-