N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-oxochromene-3-carboxamide Traditional Name: 2-keto-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]chromene-3-carboxamide Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC2=CC=CC=C2OC1=O)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC2=CC=CC=C2OC1=O)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H26N2O3/c1-16(2)21(26-12-11-17-7-3-4-9-19(17)15-26)14-25-23(27)20-13-18-8-5-6-10-22(18)29-24(20)28/h3-10,13,16,21H,11-12,14-15H2,1-2H3,(H,25,27)/p+1/t21-/m0/s1