1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2,3-dimethyl-isoquinolin-2-ium

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2,3-dimethyl-isoquinolin-2-ium Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2,3-dimethyl-isoquinolin-2-ium CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2,3-dimethylisoquinolin-2-ium IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2,3-dimethylisoquinolin-2-ium Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-2,3-dimethyl-isoquinolin-2-ium Formula: C26H34NO4+ MolecularWeight: 424.55246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=[N+](C(=CC3=CC(=C(C=C32)OCC)OCC)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=[N+](C(=CC3=CC(=C(C=C32)OCC)OCC)C)C)OCC

InChI

InChI=1S/C26H34NO4/c1-7-28-23-12-11-19(15-24(23)29-8-2)14-22-21-17-26(31-10-4)25(30-9-3)16-20(21)13-18(5)27(22)6/h11-13,15-17H,7-10,14H2,1-6H3/q+1