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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isopentyl-piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)-1-piperazin-4-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isoamyl-piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C19H33N2O3+ MolecularWeight: 337.47692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3/c1-15(2)7-9-21-11-10-20(14-17(21)8-12-22)13-16-5-4-6-18(24-3)19(16)23/h4-6,15,17,22-23H,7-14H2,1-3H3/p+1/t17-/m0/s1