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

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-isoquinolin-2-ium Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methylisoquinolin-2-ium IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methylisoquinolin-2-ium Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-2-methyl-isoquinolin-2-ium Formula: C25H32NO4+ MolecularWeight: 410.52588

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H32NO4/c1-6-27-22-11-10-18(15-23(22)28-7-2)14-21-20-17-25(30-9-4)24(29-8-3)16-19(20)12-13-26(21)5/h10-13,15-17H,6-9,14H2,1-5H3/q+1