[2-propan-2-yloxy-5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]methanol

Systemtic Name: [2-propan-2-yloxy-5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]methanol Openeye Name: [2-isopropoxy-5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]methanol CAS Name: [2-propan-2-yloxy-5-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]phenyl]methanol IUPAC Name: [2-propan-2-yloxy-5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]methanol Traditional Name: [2-isopropoxy-5-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]phenyl]methanol Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C[NH+]2CCCC(C2)N3CCCC3)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCCC3)CO

InChI

InChI=1S/C20H32N2O2/c1-16(2)24-20-8-7-17(12-18(20)15-23)13-21-9-5-6-19(14-21)22-10-3-4-11-22/h7-8,12,16,19,23H,3-6,9-11,13-15H2,1-2H3/p+1/t19-/m0/s1