3-(2,4-dichlorophenyl)-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2,4-dichlorophenyl)-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(2,4-dichlorophenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(2,4-dichlorophenyl)-4-hydroxy-8-(1-piperidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(2,4-dichlorophenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(2,4-dichlorophenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H24Cl2NO3+ MolecularWeight: 409.32616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=C(C=C(C=C4)Cl)Cl)O)CCC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=C(C=C(C=C4)Cl)Cl)O)CCC2=O

InChI

InChI=1S/C21H23Cl2NO3/c22-13-4-5-14(18(23)10-13)17-12-27-21-15(20(17)26)6-7-19(25)16(21)11-24-8-2-1-3-9-24/h4-5,10,12,16,21,26H,1-3,6-9,11H2/p+1