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

Systemtic Name: N-[(2-ethyl-3-methyl-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide Openeye Name: N-[(2-ethyl-3-methyl-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide CAS Name: N-[(2-ethyl-3-methyl-1-isoquinolin-2-iumyl)methyl]-3,4,5-trimethoxybenzamide bromide IUPAC Name: N-[(2-ethyl-3-methylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxybenzamide bromide Traditional Name: N-[(2-ethyl-3-methyl-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide bromide Formula: C23H27BrN2O4 MolecularWeight: 475.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC=CC=C2C=C1C)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Br-]

Isomeric SMILES

CC[N+]1=C(C2=CC=CC=C2C=C1C)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Br-]

InChI

InChI=1S/C23H26N2O4.BrH/c1-6-25-15(2)11-16-9-7-8-10-18(16)19(25)14-24-23(26)17-12-20(27-3)22(29-5)21(13-17)28-4;/h7-13H,6,14H2,1-5H3;1H