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

Systemtic Name: 2-methyl-5-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-methyl-5-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-methyl-5-[[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-methyl-5-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-methyl-5-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Formula: C21H31N5+2 MolecularWeight: 353.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H29N5/c1-17-23-12-19(13-24-17)15-26-10-6-21(16-26)20-4-8-25(9-5-20)14-18-3-2-7-22-11-18/h2-3,7,11-13,20-21H,4-6,8-10,14-16H2,1H3/p+2/t21-/m0/s1