methyl-[(2S)-2-oxidanyl-3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-nicotinoylpiperazino)propyl]-methyl-ammonium Formula: C14H23N4O2+ MolecularWeight: 279.35802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C(=O)C2=CN=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C(=O)C2=CN=CC=C2)O

InChI

InChI=1S/C14H22N4O2/c1-15-10-13(19)11-17-5-7-18(8-6-17)14(20)12-3-2-4-16-9-12/h2-4,9,13,15,19H,5-8,10-11H2,1H3/p+1/t13-/m0/s1