2,3,5-trimethyl-6-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrazine

Systemtic Name: 2,3,5-trimethyl-6-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrazine Openeye Name: 2,3,5-trimethyl-6-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-ium-1-yl]methyl]pyrazine CAS Name: 2,3,5-trimethyl-6-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidin-1-iumyl]methyl]pyrazine IUPAC Name: 2,3,5-trimethyl-6-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrazine Traditional Name: 2,3,5-trimethyl-6-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidin-1-ium-1-yl]methyl]pyrazine Formula: C21H31N6+ MolecularWeight: 367.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=N1)C)C[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(N=C(C(=N1)C)C[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H30N6/c1-15-16(2)25-20(17(3)24-15)14-26-10-5-19(13-26)18-6-11-27(12-7-18)21-22-8-4-9-23-21/h4,8-9,18-19H,5-7,10-14H2,1-3H3/p+1/t19-/m0/s1