(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-yl-3-piperidyl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]methanone Formula: C19H25N6O+ MolecularWeight: 353.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H24N6O/c26-18(16-5-3-10-25(15-16)19-21-8-4-9-22-19)24-13-11-23(12-14-24)17-6-1-2-7-20-17/h1-2,4,6-9,16H,3,5,10-15H2/p+1/t16-/m0/s1