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

Systemtic Name: 2,6-dimethoxy-4-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[(3S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidin-4-yl]piperidino]methyl]phenol Formula: C24H35N4O3S+ MolecularWeight: 459.6247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCCC(C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCC[C@@H](C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

InChI

InChI=1S/C24H34N4O3S/c1-30-21-14-18(15-22(31-2)23(21)29)16-28-11-5-6-19(17-28)20-7-8-25-24(26-20)32-13-12-27-9-3-4-10-27/h7-8,14-15,19,29H,3-6,9-13,16-17H2,1-2H3/p+1/t19-/m0/s1