2-[3-[[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol

Systemtic Name: 2-[3-[[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[3-[[(3S)-3-(4-isopropylanilino)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol CAS Name: 2-[3-[[(3S)-3-(4-propan-2-ylanilino)-1-piperidin-1-iumyl]methyl]phenoxy]ethanol IUPAC Name: 2-[3-[[(3S)-3-(4-propan-2-ylanilino)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[3-[[(3S)-3-cumidinopiperidin-1-ium-1-yl]methyl]phenoxy]ethanol Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC(=CC=C3)OCCO

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OCCO

InChI

InChI=1S/C23H32N2O2/c1-18(2)20-8-10-21(11-9-20)24-22-6-4-12-25(17-22)16-19-5-3-7-23(15-19)27-14-13-26/h3,5,7-11,15,18,22,24,26H,4,6,12-14,16-17H2,1-2H3/p+1/t22-/m0/s1