3-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-[ethyl(4-pyridylmethyl)amino]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-[ethyl(4-pyridylmethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=CC(=CC=C3)O

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)O

InChI

InChI=1S/C20H27N3O/c1-2-23(15-17-8-10-21-11-9-17)19-6-4-12-22(16-19)14-18-5-3-7-20(24)13-18/h3,5,7-11,13,19,24H,2,4,6,12,14-16H2,1H3/p+1/t19-/m0/s1