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

Systemtic Name: 2-propyl-5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-propyl-5-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-propyl-5-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-propyl-5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-propyl-5-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Formula: C21H31N6+ MolecularWeight: 367.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H30N6/c1-2-4-20-24-13-17(14-25-20)15-26-10-5-19(16-26)18-6-11-27(12-7-18)21-22-8-3-9-23-21/h3,8-9,13-14,18-19H,2,4-7,10-12,15-16H2,1H3/p+1/t19-/m0/s1