N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-diethoxy-isoquinolin-2-ium-3-amine

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-diethoxy-isoquinolin-2-ium-3-amine Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-diethoxy-isoquinolin-2-ium-3-amine CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-diethoxy-3-isoquinolin-2-iumamine IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-diethoxyisoquinolin-2-ium-3-amine Traditional Name: (6,7-diethoxyisoquinolin-2-ium-3-yl)-[2-(3,4-diethoxyphenyl)ethyl]amine Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC2=CC3=CC(=C(C=C3C=[NH+]2)OCC)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC2=CC3=CC(=C(C=C3C=[NH+]2)OCC)OCC)OCC

InChI

InChI=1S/C25H32N2O4/c1-5-28-21-10-9-18(13-22(21)29-6-2)11-12-26-25-16-19-14-23(30-7-3)24(31-8-4)15-20(19)17-27-25/h9-10,13-17H,5-8,11-12H2,1-4H3,(H,26,27)/p+1