4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-thenyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C18H25N2O2S+ MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC3=CC=C(C=C3)O

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CC3=CC=C(C=C3)O

InChI

InChI=1S/C18H24N2O2S/c21-9-5-17-13-19(11-15-1-3-18(22)4-2-15)7-8-20(17)12-16-6-10-23-14-16/h1-4,6,10,14,17,21-22H,5,7-9,11-13H2/p+1/t17-/m0/s1