3,3-dimethyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate Traditional Name: 5-keto-3,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazino)valerate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-16(2,12-15(21)22)11-14(20)19-9-7-18(8-10-19)13-5-3-4-6-17-13/h3-6H,7-12H2,1-2H3,(H,21,22)