1-[4-[(2R)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2R)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2R)-3-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2R)-3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2R)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2R)-3-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CSC4=CC=CC=C43)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC3=CSC4=CC=CC=C43)O

InChI

InChI=1S/C25H30N2O3S/c1-2-24(29)19-7-9-22(10-8-19)30-17-21(28)16-27-13-11-26(12-14-27)15-20-18-31-25-6-4-3-5-23(20)25/h3-10,18,21,28H,2,11-17H2,1H3/p+1/t21-/m1/s1