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

Systemtic Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3,5-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(=CC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3)OC

Isomeric SMILES

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

InChI

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