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

Systemtic Name: 3-(2-chlorophenyl)-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(2-chlorophenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(2-chlorophenyl)-4-hydroxy-8-(1-piperidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(2-chlorophenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(2-chlorophenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H25ClNO3+ MolecularWeight: 374.8811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4Cl)O)CCC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4Cl)O)CCC2=O

InChI

InChI=1S/C21H24ClNO3/c22-18-7-3-2-6-14(18)17-13-26-21-15(20(17)25)8-9-19(24)16(21)12-23-10-4-1-5-11-23/h2-3,6-7,13,16,21,25H,1,4-5,8-12H2/p+1