N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide

Systemtic Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide Openeye Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide CAS Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxybenzamide bromide IUPAC Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxybenzamide bromide Traditional Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide Formula: C25H33BrN2O4 MolecularWeight: 505.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC=C2C=CC=CC2=C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C.[Br-]

Isomeric SMILES

CCCC[N+]1(CC=C2C=CC=CC2=C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C.[Br-]

InChI

InChI=1S/C25H32N2O4.BrH/c1-6-7-13-27(2)14-12-18-10-8-9-11-20(18)21(27)17-26-25(28)19-15-22(29-3)24(31-5)23(16-19)30-4;/h8-12,15-16H,6-7,13-14,17H2,1-5H3;1H