2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN(C(C3)CCO)CC4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C20H26N2O4S/c1-24-18-9-15(10-19-20(18)26-14-25-19)11-21-5-6-22(16(12-21)4-7-23)13-17-3-2-8-27-17/h2-3,8-10,16,23H,4-7,11-14H2,1H3/p+1/t16-/m0/s1