2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)CN3CC[NH+](C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)CN3CC[NH+]([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C22H28N2O3S/c1-26-21-4-2-3-19-11-18(15-27-22(19)21)12-23-7-8-24(20(14-23)5-9-25)13-17-6-10-28-16-17/h2-4,6,10-11,16,20,25H,5,7-9,12-15H2,1H3/p+1/t20-/m0/s1