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

Systemtic Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(4-oxidanylidenechromen-3-yl)methyl]piperazin-4-ium-2-one Openeye Name: (6S)-6-methyl-1-(o-tolyl)-4-[(4-oxochromen-3-yl)methyl]piperazin-4-ium-2-one CAS Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(4-oxo-1-benzopyran-3-yl)methyl]-2-piperazin-4-iumone IUPAC Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(4-oxochromen-3-yl)methyl]piperazin-4-ium-2-one Traditional Name: (6S)-4-[(4-ketochromen-3-yl)methyl]-6-methyl-1-(o-tolyl)piperazin-4-ium-2-one Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H]1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O3/c1-15-7-3-5-9-19(15)24-16(2)11-23(13-21(24)25)12-17-14-27-20-10-6-4-8-18(20)22(17)26/h3-10,14,16H,11-13H2,1-2H3/p+1/t16-/m0/s1