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

Systemtic Name: N-[(2-butylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide Openeye Name: N-[(2-butylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide CAS Name: N-[(2-butyl-1-isoquinolin-2-iumyl)methyl]-3,4,5-trimethoxybenzamide bromide IUPAC Name: N-[(2-butylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxybenzamide bromide Traditional Name: N-[(2-butylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide Formula: C24H29BrN2O4 MolecularWeight: 489.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=CC=CC=C2C=C1)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Br-]

Isomeric SMILES

CCCC[N+]1=C(C2=CC=CC=C2C=C1)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Br-]

InChI

InChI=1S/C24H28N2O4.BrH/c1-5-6-12-26-13-11-17-9-7-8-10-19(17)20(26)16-25-24(27)18-14-21(28-2)23(30-4)22(15-18)29-3;/h7-11,13-15H,5-6,12,16H2,1-4H3;1H