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

Systemtic Name: [1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium Traditional Name: [1-[(2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoyl]-4-piperidyl]ammonium Formula: C17H29N5O+2 MolecularWeight: 319.44506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O/c1-14(17(23)22-8-5-15(18)6-9-22)20-10-12-21(13-11-20)16-4-2-3-7-19-16/h2-4,7,14-15H,5-6,8-13,18H2,1H3/p+2/t14-/m0/s1