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

Systemtic Name: 2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isopentyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isoamyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C18H30ClN2O2+ MolecularWeight: 341.896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O2/c1-14(2)5-7-21-9-8-20(13-16(21)6-10-22)12-15-3-4-18(23)17(19)11-15/h3-4,11,14,16,22-23H,5-10,12-13H2,1-2H3/p+1/t16-/m0/s1