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

Systemtic Name: 5-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-thenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C19H26ClN2O3S+ MolecularWeight: 397.93934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3)Cl)O

InChI

InChI=1S/C19H25ClN2O3S/c1-25-19-9-14(17(20)10-18(19)24)11-21-5-6-22(15(12-21)4-7-23)13-16-3-2-8-26-16/h2-3,8-10,15,23-24H,4-7,11-13H2,1H3/p+1/t15-/m0/s1