N-(2,5-dimethoxyphenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4

InChI

InChI=1S/C24H29N3O4/c1-30-19-9-10-22(31-2)20(14-19)25-23(28)16-27-15-18-8-4-3-7-17(18)13-21(27)24(29)26-11-5-6-12-26/h3-4,7-10,14,21H,5-6,11-13,15-16H2,1-2H3,(H,25,28)/p+1/t21-/m0/s1