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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C23H27ClN3O3+ MolecularWeight: 428.93178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O3/c1-30-21-9-8-18(13-19(21)24)25-22(28)15-27-14-17-7-3-2-6-16(17)12-20(27)23(29)26-10-4-5-11-26/h2-3,6-9,13,20H,4-5,10-12,14-15H2,1H3,(H,25,28)/p+1/t20-/m0/s1