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

Systemtic Name: 5-methoxy-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenol CAS Name: 5-methoxy-2-[[(3S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenol IUPAC Name: 5-methoxy-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidin-4-yl]piperidino]methyl]phenol Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCC[C@@H](C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4)O

InChI

InChI=1S/C23H32N4O2S/c1-29-20-7-6-19(22(28)15-20)17-27-12-4-5-18(16-27)21-8-9-24-23(25-21)30-14-13-26-10-2-3-11-26/h6-9,15,18,28H,2-5,10-14,16-17H2,1H3/p+1/t18-/m0/s1