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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC(=CC=C2)O)CCO)CC3=CC=CS3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC(=CC=C2)O)CCO)CC3=CC=CS3

InChI

InChI=1S/C18H24N2O2S/c21-9-6-16-13-19(12-15-3-1-4-17(22)11-15)7-8-20(16)14-18-5-2-10-23-18/h1-5,10-11,16,21-22H,6-9,12-14H2/p+1/t16-/m0/s1