4-methyl-7-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]-4-methyl-coumarin Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH+]3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H26N2O4/c1-17-13-23(27)29-22-14-20(7-8-21(17)22)28-16-19(26)15-24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13-14,19,26H,9-12,15-16H2,1H3/p+1/t19-/m0/s1