2-[(Z)-oct-2-en-3-yl]-1-prop-2-enyl-isoquinolin-2-ium

Systemtic Name: 2-[(Z)-oct-2-en-3-yl]-1-prop-2-enyl-isoquinolin-2-ium Openeye Name: 1-allyl-2-[(1Z)-1-ethylidenehexyl]isoquinolin-2-ium CAS Name: 2-[(Z)-oct-2-en-3-yl]-1-prop-2-enylisoquinolin-2-ium IUPAC Name: 2-[(Z)-oct-2-en-3-yl]-1-prop-2-enylisoquinolin-2-ium Traditional Name: 1-allyl-2-[(Z)-1-amylprop-1-enyl]isoquinolin-2-ium Formula: C20H26N+ MolecularWeight: 280.42714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC)[N+]1=C(C2=CC=CC=C2C=C1)CC=C

Isomeric SMILES

CCCCC/C(=C/C)/[N+]1=C(C2=CC=CC=C2C=C1)CC=C

InChI

InChI=1S/C20H26N/c1-4-7-8-13-18(6-3)21-16-15-17-12-9-10-14-19(17)20(21)11-5-2/h5-6,9-10,12,14-16H,2,4,7-8,11,13H2,1,3H3/q+1/b18-6-