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

Systemtic Name: 2-propyl-5-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-propyl-5-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-propyl-5-[[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-propyl-5-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-propyl-5-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]pyrimidine Formula: C23H35N5+2 MolecularWeight: 381.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H33N5/c1-2-4-23-25-14-20(15-26-23)17-28-12-8-22(18-28)21-6-10-27(11-7-21)16-19-5-3-9-24-13-19/h3,5,9,13-15,21-22H,2,4,6-8,10-12,16-18H2,1H3/p+2/t22-/m0/s1