4-methyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidine

Systemtic Name: 4-methyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidine Openeye Name: 4-methyl-2-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidine CAS Name: 4-methyl-2-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]pyrimidine IUPAC Name: 4-methyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidine Traditional Name: 4-methyl-2-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]pyrimidine Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1)N2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H27N5/c1-16-4-9-22-20(23-16)25-12-7-19(15-25)18-5-10-24(11-6-18)14-17-3-2-8-21-13-17/h2-4,8-9,13,18-19H,5-7,10-12,14-15H2,1H3/p+1/t19-/m0/s1