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

Systemtic Name: 5-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 4-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-chloro-2-methoxy-phenol CAS Name: 5-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 4-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-chloro-2-methoxyphenol Traditional Name: 4-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-chloro-2-methoxy-phenol Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3)Cl)O

InChI

InChI=1S/C21H27ClN2O3/c1-27-21-11-17(19(22)12-20(21)26)14-23-8-9-24(18(15-23)7-10-25)13-16-5-3-2-4-6-16/h2-6,11-12,18,25-26H,7-10,13-15H2,1H3/p+1/t18-/m0/s1