2-methyl-6-prop-2-ynoxy-isoquinolin-2-ium

Systemtic Name: 2-methyl-6-prop-2-ynoxy-isoquinolin-2-ium Openeye Name: 2-methyl-6-prop-2-ynoxy-isoquinolin-2-ium CAS Name: 2-methyl-6-prop-2-ynoxyisoquinolin-2-ium IUPAC Name: 2-methyl-6-prop-2-ynoxyisoquinolin-2-ium Traditional Name: 2-methyl-6-propargyloxy-isoquinolin-2-ium Formula: C13H12NO+ MolecularWeight: 198.24048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCC#C

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCC#C

InChI

InChI=1S/C13H12NO/c1-3-8-15-13-5-4-12-10-14(2)7-6-11(12)9-13/h1,4-7,9-10H,8H2,2H3/q+1