3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]chromone Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=COC3=CC=CC=C3C2=O)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=COC3=CC=CC=C3C2=O)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c27-15-11-21-17-25(13-14-26(21)12-10-19-6-2-1-3-7-19)16-20-18-29-23-9-5-4-8-22(23)24(20)28/h1-9,18,21,27H,10-17H2/p+1/t21-/m0/s1