4-oxidanylidene-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide Openeye Name: N-[(2R)-2-(4-isopropylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-chromene-2-carboxamide CAS Name: 4-oxo-N-[(2R)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-ylphenyl)ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 4-oxo-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide Traditional Name: 4-keto-N-[(2R)-2-p-cumenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+]4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+]4CCCCC4

InChI

InChI=1S/C26H30N2O3/c1-18(2)19-10-12-20(13-11-19)22(28-14-6-3-7-15-28)17-27-26(30)25-16-23(29)21-8-4-5-9-24(21)31-25/h4-5,8-13,16,18,22H,3,6-7,14-15,17H2,1-2H3,(H,27,30)/p+1/t22-/m0/s1