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

Systemtic Name: 4-chloranyl-2-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(3-thenyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C18H24ClN2O2S+ MolecularWeight: 367.91336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O2S/c19-16-1-2-18(23)15(9-16)11-20-5-6-21(17(12-20)3-7-22)10-14-4-8-24-13-14/h1-2,4,8-9,13,17,22-23H,3,5-7,10-12H2/p+1/t17-/m0/s1