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

Systemtic Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethylbenzyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C20H28N2OS/c1-2-17-5-7-18(8-6-17)14-21-10-11-22(19(15-21)9-12-23)16-20-4-3-13-24-20/h3-8,13,19,23H,2,9-12,14-16H2,1H3/p+1/t19-/m0/s1