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

Systemtic Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2-butyl-2-methyl-3H-isoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide Formula: C25H33N2O4+ MolecularWeight: 425.54052

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/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/p+1