N,N-dimethyl-6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-4-amine

Systemtic Name: N,N-dimethyl-6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-4-amine Openeye Name: N,N-dimethyl-6-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-4-amine CAS Name: N,N-dimethyl-6-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-4-pyrimidinamine IUPAC Name: N,N-dimethyl-6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-4-amine Traditional Name: dimethyl-[6-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]pyrimidin-4-yl]amine Formula: C21H31N6+ MolecularWeight: 367.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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