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

Systemtic Name: N-(4-methoxyphenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-29-20-10-8-19(9-11-20)24-22(27)16-26-15-18-7-3-2-6-17(18)14-21(26)23(28)25-12-4-5-13-25/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,24,27)/p+1/t21-/m0/s1