(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(4-oxidanylidenechromen-3-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(4-oxidanylidenechromen-3-yl)methyl]piperazin-4-ium-2-one Openeye Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(4-oxochromen-3-yl)methyl]piperazin-4-ium-2-one CAS Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(4-oxo-1-benzopyran-3-yl)methyl]-2-piperazin-4-iumone IUPAC Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(4-oxochromen-3-yl)methyl]piperazin-4-ium-2-one Traditional Name: (6R)-4-[(4-ketochromen-3-yl)methyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O4/c1-15-11-23(12-16-14-28-20-9-4-3-8-19(20)22(16)26)13-21(25)24(15)17-6-5-7-18(10-17)27-2/h3-10,14-15H,11-13H2,1-2H3/p+1/t15-/m1/s1