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

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinolin-2-ium sulfamate Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinolin-2-ium sulfamate CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium sulfamate IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium sulfamate Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-isoquinolin-2-ium sulfamate Formula: C24H32N2O7S MolecularWeight: 492.58508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.NS(=O)(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.NS(=O)(=O)[O-]

InChI

InChI=1S/C24H29NO4.H3NO3S/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-5(2,3)4/h9-12,14-16H,5-8,13H2,1-4H3;(H3,1,2,3,4)