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

Systemtic Name: 2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isopentyl-piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)-1-piperazin-4-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isoamyl-piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C19H32ClN2O3+ MolecularWeight: 371.92198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=CC(=C(C(=C2)Cl)O)OC

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=C(C(=C2)Cl)O)OC

InChI

InChI=1S/C19H31ClN2O3/c1-14(2)4-6-22-8-7-21(13-16(22)5-9-23)12-15-10-17(20)19(24)18(11-15)25-3/h10-11,14,16,23-24H,4-9,12-13H2,1-3H3/p+1/t16-/m0/s1