2-chloranyl-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-chloranyl-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C19H30ClN2O3+ MolecularWeight: 369.9061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)Cl)O

InChI

InChI=1S/C19H29ClN2O3/c1-25-18-11-14(10-17(20)19(18)24)12-21-7-8-22(15-4-2-3-5-15)16(13-21)6-9-23/h10-11,15-16,23-24H,2-9,12-13H2,1H3/p+1/t16-/m0/s1