[1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium Traditional Name: [1-[(2S)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propanoyl]-4-piperidyl]ammonium Formula: C16H28N6O+2 MolecularWeight: 320.43312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)[NH3+])[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H26N6O/c1-13(15(23)21-7-3-14(17)4-8-21)20-9-11-22(12-10-20)16-18-5-2-6-19-16/h2,5-6,13-14H,3-4,7-12,17H2,1H3/p+2/t13-/m0/s1