2-methyl-3-(3-oxidanyl-5H-chromen-4-yl)-5,6-dihydro-1H-3-benzazocin-3-ium-4-one

Systemtic Name: 2-methyl-3-(3-oxidanyl-5H-chromen-4-yl)-5,6-dihydro-1H-3-benzazocin-3-ium-4-one Openeye Name: 3-(3-hydroxy-5H-chromen-4-yl)-2-methyl-5,6-dihydro-1H-3-benzazocin-3-ium-4-one CAS Name: 3-(3-hydroxy-5H-1-benzopyran-4-yl)-2-methyl-5,6-dihydro-1H-3-benzazocin-3-ium-4-one IUPAC Name: 3-(3-hydroxy-5H-chromen-4-yl)-2-methyl-5,6-dihydro-1H-3-benzazocin-3-ium-4-one Traditional Name: 3-(3-hydroxy-5H-chromen-4-yl)-2-methyl-5,6-dihydro-1H-3-benzazocin-3-ium-4-one Formula: C21H20NO3+ MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)CCC2=CC=CC=C2C1)C3=C4CC=CC=C4OC=C3O

Isomeric SMILES

CC1=[N+](C(=O)CCC2=CC=CC=C2C1)C3=C4CC=CC=C4OC=C3O

InChI

InChI=1S/C21H19NO3/c1-14-12-16-7-3-2-6-15(16)10-11-20(24)22(14)21-17-8-4-5-9-19(17)25-13-18(21)23/h2-7,9,13H,8,10-12H2,1H3/p+1