2-methyl-4-oxidanyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 2-methyl-4-oxidanyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-2-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-2-methyl-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-2-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-2-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCC3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C21H25NO3/c1-14-19(15-7-3-2-4-8-15)20(24)16-9-10-18(23)17(21(16)25-14)13-22-11-5-6-12-22/h2-4,7-8,17,21,24H,5-6,9-13H2,1H3/p+1