6,7-diethoxy-N-ethyl-isoquinolin-2-ium-3-amine

Systemtic Name: 6,7-diethoxy-N-ethyl-isoquinolin-2-ium-3-amine Openeye Name: 6,7-diethoxy-N-ethyl-isoquinolin-2-ium-3-amine CAS Name: 6,7-diethoxy-N-ethyl-3-isoquinolin-2-iumamine IUPAC Name: 6,7-diethoxy-N-ethylisoquinolin-2-ium-3-amine Traditional Name: (6,7-diethoxyisoquinolin-2-ium-3-yl)-ethyl-amine Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=CC(=C(C=C2C=[NH+]1)OCC)OCC

Isomeric SMILES

CCNC1=CC2=CC(=C(C=C2C=[NH+]1)OCC)OCC

InChI

InChI=1S/C15H20N2O2/c1-4-16-15-9-11-7-13(18-5-2)14(19-6-3)8-12(11)10-17-15/h7-10H,4-6H2,1-3H3,(H,16,17)/p+1