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

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]ammonium CAS Name: [(2S)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]ammonium Formula: C14H24N4O+2 MolecularWeight: 264.36656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

InChI

InChI=1S/C14H22N4O/c1-11(2)13(15)14(19)18-9-7-17(8-10-18)12-5-3-4-6-16-12/h3-6,11,13H,7-10,15H2,1-2H3/p+2/t13-/m0/s1