[(2S)-2-ethylpiperidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]methanone

Systemtic Name: [(2S)-2-ethylpiperidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]methanone Openeye Name: [(2S)-2-ethyl-1-piperidyl]-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]methanone CAS Name: [(2S)-2-ethyl-1-piperidinyl]-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methanone IUPAC Name: [(2S)-2-ethylpiperidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]methanone Traditional Name: [(2S)-2-ethylpiperidino]-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazol-4-yl]methanone Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H28N6O2/c1-2-16-6-3-4-9-26(16)19(27)17-15-28-18(23-17)14-24-10-12-25(13-11-24)20-21-7-5-8-22-20/h5,7-8,15-16H,2-4,6,9-14H2,1H3/p+1/t16-/m0/s1