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

Systemtic Name: 2-ethyl-5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-ethyl-5-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-ethyl-5-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-ethyl-5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-ethyl-5-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Formula: C20H29N6+ MolecularWeight: 353.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H28N6/c1-2-19-23-12-16(13-24-19)14-25-9-4-18(15-25)17-5-10-26(11-6-17)20-21-7-3-8-22-20/h3,7-8,12-13,17-18H,2,4-6,9-11,14-15H2,1H3/p+1/t18-/m0/s1