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

Systemtic Name: 2-[(2S)-4-[(2-prop-2-enoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-prop-2-enoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-prop-2-enoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C21H28N2O2S/c1-2-13-25-21-8-4-3-6-18(21)15-22-10-11-23(19(16-22)9-12-24)17-20-7-5-14-26-20/h2-8,14,19,24H,1,9-13,15-17H2/p+1/t19-/m0/s1