1-methyl-2-prop-2-enyl-isoquinolin-2-ium chloride

Systemtic Name: 1-methyl-2-prop-2-enyl-isoquinolin-2-ium chloride Openeye Name: 2-allyl-1-methyl-isoquinolin-2-ium chloride CAS Name: 1-methyl-2-prop-2-enylisoquinolin-2-ium chloride IUPAC Name: 1-methyl-2-prop-2-enylisoquinolin-2-ium chloride Traditional Name: 2-allyl-1-methyl-isoquinolin-2-ium chloride Formula: C13H14ClN MolecularWeight: 219.70996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=CC=CC=C12)CC=C.[Cl-]

Isomeric SMILES

CC1=[N+](C=CC2=CC=CC=C12)CC=C.[Cl-]

InChI

InChI=1S/C13H14N.ClH/c1-3-9-14-10-8-12-6-4-5-7-13(12)11(14)2;/h3-8,10H,1,9H2,2H3;1H/q+1;/p-1