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

Systemtic Name: 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidine Openeye Name: 5-ethyl-2-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidine CAS Name: 5-ethyl-2-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]pyrimidine IUPAC Name: 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidine Traditional Name: 5-ethyl-2-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]pyrimidine Formula: C21H30N5+ MolecularWeight: 352.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CCC1=CN=C(N=C1)N2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H29N5/c1-2-17-13-23-21(24-14-17)26-11-7-20(16-26)19-5-9-25(10-6-19)15-18-4-3-8-22-12-18/h3-4,8,12-14,19-20H,2,5-7,9-11,15-16H2,1H3/p+1/t20-/m0/s1