3-(3-methylphenoxy)-7-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]chromen-4-one

Systemtic Name: 3-(3-methylphenoxy)-7-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]chromen-4-one Openeye Name: 7-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-(3-methylphenoxy)chromen-4-one CAS Name: 7-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propoxy]-3-(3-methylphenoxy)-1-benzopyran-4-one IUPAC Name: 7-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-(3-methylphenoxy)chromen-4-one Traditional Name: 7-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-(3-methylphenoxy)chromone Formula: C30H33N2O5+ MolecularWeight: 501.59342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CC[NH+](CC4)CC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC[C@@H](CN4CC[NH+](CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C30H32N2O5/c1-22-6-5-9-26(16-22)37-29-21-36-28-17-25(10-11-27(28)30(29)34)35-20-24(33)19-32-14-12-31(13-15-32)18-23-7-3-2-4-8-23/h2-11,16-17,21,24,33H,12-15,18-20H2,1H3/p+1/t24-/m1/s1