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

Systemtic Name: 2-[(2S)-4-[(4-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-methoxyphenyl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-p-anisyl-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C19H27N2O2S+ MolecularWeight: 347.49488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2S/c1-23-18-6-4-16(5-7-18)13-20-9-10-21(17(14-20)8-11-22)15-19-3-2-12-24-19/h2-7,12,17,22H,8-11,13-15H2,1H3/p+1/t17-/m0/s1