3-(4-bromophenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(4-bromophenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-bromophenyl)-4-hydroxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-bromophenyl)-4-hydroxy-2-methyl-8-(4-morpholin-4-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-bromophenyl)-4-hydroxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-bromophenyl)-4-hydroxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H25BrNO4+ MolecularWeight: 435.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCOCC3)O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCOCC3)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H24BrNO4/c1-13-19(14-2-4-15(22)5-3-14)20(25)16-6-7-18(24)17(21(16)27-13)12-23-8-10-26-11-9-23/h2-5,17,21,25H,6-12H2,1H3/p+1