7-[(2R)-3-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2R)-3-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2R)-3-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2R)-3-[4-(2,6-dimethylphenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2R)-3-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2R)-3-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CC[NH+](CC2)CC(COC3=CC4=C(C=C3)C(=CC(=O)O4)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CC[NH+](CC2)C[C@H](COC3=CC4=C(C=C3)C(=CC(=O)O4)C)O

InChI

InChI=1S/C25H30N2O4/c1-17-5-4-6-18(2)25(17)27-11-9-26(10-12-27)15-20(28)16-30-21-7-8-22-19(3)13-24(29)31-23(22)14-21/h4-8,13-14,20,28H,9-12,15-16H2,1-3H3/p+1/t20-/m1/s1