8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4)O)CCC2=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4)O)CCC2=O

InChI

InChI=1S/C22H27NO3/c1-15-6-5-11-23(12-15)13-18-20(24)10-9-17-21(25)19(14-26-22(17)18)16-7-3-2-4-8-16/h2-4,7-8,14-15,18,22,25H,5-6,9-13H2,1H3/p+1/t15-,18?,22?/m0/s1