N-(2-methoxy-5-methyl-phenyl)-2-[(3R)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[(3R)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[(3R)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(3R)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[(3R)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[(3R)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)N4CCCC4

InChI

InChI=1S/C24H29N3O3/c1-17-9-10-22(30-2)20(13-17)25-23(28)16-27-15-19-8-4-3-7-18(19)14-21(27)24(29)26-11-5-6-12-26/h3-4,7-10,13,21H,5-6,11-12,14-16H2,1-2H3,(H,25,28)/p+1/t21-/m1/s1