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

Systemtic Name: 2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)-1-piperazin-4-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C18H30ClN2O3+ MolecularWeight: 357.8954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O3/c1-13(2)10-21-6-5-20(12-15(21)4-7-22)11-14-8-16(19)18(23)17(9-14)24-3/h8-9,13,15,22-23H,4-7,10-12H2,1-3H3/p+1/t15-/m0/s1