2-methoxy-5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine

Systemtic Name: 2-methoxy-5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-methoxy-5-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-methoxy-5-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-methoxy-5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-methoxy-5-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Formula: C19H27N6O+ MolecularWeight: 355.45728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=NC=C(C=N1)C[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H26N6O/c1-26-19-22-11-15(12-23-19)13-24-8-3-17(14-24)16-4-9-25(10-5-16)18-20-6-2-7-21-18/h2,6-7,11-12,16-17H,3-5,8-10,13-14H2,1H3/p+1/t17-/m0/s1