2-ethoxy-6-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidin-4-yl]piperidino]methyl]phenol Formula: C24H35N4O2S+ MolecularWeight: 443.6253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CCCC(C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CCC[C@@H](C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

InChI

InChI=1S/C24H34N4O2S/c1-2-30-22-9-5-7-20(23(22)29)18-28-14-6-8-19(17-28)21-10-11-25-24(26-21)31-16-15-27-12-3-4-13-27/h5,7,9-11,19,29H,2-4,6,8,12-18H2,1H3/p+1/t19-/m0/s1