(3R)-3-methyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate

Systemtic Name: (3R)-3-methyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate Openeye Name: (3R)-3-methyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate CAS Name: (3R)-3-methyl-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanoate IUPAC Name: (3R)-3-methyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate Traditional Name: (3R)-5-keto-3-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)valerate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-12(11-15(20)21)10-14(19)18-8-6-17(7-9-18)13-4-2-3-5-16-13/h2-5,12H,6-11H2,1H3,(H,20,21)/t12-/m1/s1