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

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-ethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-ethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-6-ethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-ethyl-4-keto-chromene-2-carboxamide Formula: C25H28ClN2O3+ MolecularWeight: 439.95442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCCC4

InChI

InChI=1S/C25H27ClN2O3/c1-2-17-10-11-23-19(14-17)22(29)15-24(31-23)25(30)27-16-21(28-12-6-3-7-13-28)18-8-4-5-9-20(18)26/h4-5,8-11,14-15,21H,2-3,6-7,12-13,16H2,1H3,(H,27,30)/p+1/t21-/m0/s1