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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4

InChI

InChI=1S/C20H24N4O3/c1-14-10-18(22-27-14)21-19(25)13-24-12-16-7-3-2-6-15(16)11-17(24)20(26)23-8-4-5-9-23/h2-3,6-7,10,17H,4-5,8-9,11-13H2,1H3,(H,21,22,25)/p+1/t17-/m0/s1