(2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-morpholino-2-phenyl-ethanone CAS Name: (2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-morpholino-2-phenyl-ethanone Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C(C3=CC=CC=C3)C(=O)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)[C@@H](C3=CC=CC=C3)C(=O)N4CCOCC4)OC

InChI

InChI=1S/C23H28N2O4/c1-27-20-14-18-8-9-25(16-19(18)15-21(20)28-2)22(17-6-4-3-5-7-17)23(26)24-10-12-29-13-11-24/h3-7,14-15,22H,8-13,16H2,1-2H3/p+1/t22-/m0/s1