4-[[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(5-methyl-2-furanyl)methyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)CC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC=C(C=C3)O

InChI

InChI=1S/C19H26N2O3/c1-15-2-7-19(24-15)14-21-10-9-20(13-17(21)8-11-22)12-16-3-5-18(23)6-4-16/h2-7,17,22-23H,8-14H2,1H3/p+1/t17-/m0/s1