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

Systemtic Name: 2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C17H28ClN2O2+ MolecularWeight: 327.86942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O2/c1-13(2)10-20-7-6-19(12-15(20)5-8-21)11-14-3-4-17(22)16(18)9-14/h3-4,9,13,15,21-22H,5-8,10-12H2,1-2H3/p+1/t15-/m0/s1