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

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-methyl-ammonium Formula: C13H24N4O+2 MolecularWeight: 252.35586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C2=CC=CC=[NH+]2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C2=CC=CC=[NH+]2)O

InChI

InChI=1S/C13H22N4O/c1-14-10-12(18)11-16-6-8-17(9-7-16)13-4-2-3-5-15-13/h2-5,12,14,18H,6-11H2,1H3/p+2/t12-/m0/s1