7-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxychromen-2-one

Systemtic Name: 7-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxychromen-2-one Openeye Name: 7-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]oxy-1-benzopyran-2-one IUPAC Name: 7-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]oxychromen-2-one Traditional Name: 7-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethoxy]coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C23H24N2O4/c1-17(28-20-9-7-19-8-10-22(26)29-21(19)15-20)23(27)25-13-11-24(12-14-25)16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3/p+1/t17-/m1/s1