1-(furan-2-ylmethyl)-N-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]piperidin-1-ium-4-amine

Systemtic Name: 1-(furan-2-ylmethyl)-N-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]piperidin-1-ium-4-amine Openeye Name: 1-(2-furylmethyl)-N-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]piperidin-1-ium-4-amine CAS Name: 1-(2-furanylmethyl)-N-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]-4-piperidin-1-iumamine IUPAC Name: 1-(furan-2-ylmethyl)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]piperidin-1-ium-4-amine Traditional Name: [1-(2-furfuryl)piperidin-1-ium-4-yl]-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]amine Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NC2CC[NH+](CC2)CC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NC2CC[NH+](CC2)CC3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C22H27N5O/c1-16(21-14-24-22(26-17(21)2)18-5-9-23-10-6-18)25-19-7-11-27(12-8-19)15-20-4-3-13-28-20/h3-6,9-10,13-14,16,19,25H,7-8,11-12,15H2,1-2H3/p+1/t16-/m0/s1