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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C20H28N2O3S/c1-24-18-5-6-20(25-2)16(12-18)13-21-8-9-22(17(14-21)7-10-23)15-19-4-3-11-26-19/h3-6,11-12,17,23H,7-10,13-15H2,1-2H3/p+1/t17-/m0/s1