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

Systemtic Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3,5-dimethoxybenzyl)-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](C(C2)CCO)CC3=CSC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CC3=CSC=C3)OC

InChI

InChI=1S/C20H28N2O3S/c1-24-19-9-17(10-20(11-19)25-2)12-21-5-6-22(18(14-21)3-7-23)13-16-4-8-26-15-16/h4,8-11,15,18,23H,3,5-7,12-14H2,1-2H3/p+1/t18-/m0/s1