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

Systemtic Name: 5-chloranyl-4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-chloro-4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-chloro-4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-chloro-4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-chloro-4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Formula: C21H34ClN2O3+ MolecularWeight: 397.95926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CC[NH+](C(C2)CCO)CC3CCCCC3)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3)Cl)O

InChI

InChI=1S/C21H33ClN2O3/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/h11-12,16,18,25-26H,2-10,13-15H2,1H3/p+1/t18-/m0/s1