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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O2S/c19-15-3-4-18(23)14(10-15)11-20-6-7-21(16(12-20)5-8-22)13-17-2-1-9-24-17/h1-4,9-10,16,22-23H,5-8,11-13H2/p+1/t16-/m0/s1