3-morpholin-4-ylcarbonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)naphthalen-2-olate

Systemtic Name: 3-morpholin-4-ylcarbonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)naphthalen-2-olate Openeye Name: 3-(morpholine-4-carbonyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)naphthalen-2-olate CAS Name: 3-[4-morpholinyl(oxo)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-naphthalenolate IUPAC Name: 3-(morpholine-4-carbonyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)naphthalen-2-olate Traditional Name: 3-(morpholine-4-carbonyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)naphthalen-2-olate Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(C(=CC4=CC=CC=C43)C(=O)N5CCOCC5)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(C(=CC4=CC=CC=C43)C(=O)N5CCOCC5)[O-]

InChI

InChI=1S/C25H26N2O3/c28-24-22(25(29)27-11-13-30-14-12-27)15-19-6-3-4-8-21(19)23(24)17-26-10-9-18-5-1-2-7-20(18)16-26/h1-8,15,28H,9-14,16-17H2