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

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide Openeye Name: 6-chloro-N-[(2R)-2-(4-isopropylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[(2R)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-ylphenyl)ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-4-oxo-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[(2R)-2-p-cumenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Formula: C26H30ClN2O3+ MolecularWeight: 453.981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)[NH+]4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)[NH+]4CCCCC4

InChI

InChI=1S/C26H29ClN2O3/c1-17(2)18-6-8-19(9-7-18)22(29-12-4-3-5-13-29)16-28-26(31)25-15-23(30)21-14-20(27)10-11-24(21)32-25/h6-11,14-15,17,22H,3-5,12-13,16H2,1-2H3,(H,28,31)/p+1/t22-/m0/s1