4-[2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azaniumyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azaniumyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonio]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonio]ethyl]amino]benzoate IUPAC Name: 4-[[2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azaniumyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonio]acetyl]amino]benzoate Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC(=O)NC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC(=O)NC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C18H27N3O3/c1-17(2)9-14(10-18(3,4)21-17)19-11-15(22)20-13-7-5-12(6-8-13)16(23)24/h5-8,14,19,21H,9-11H2,1-4H3,(H,20,22)(H,23,24)/p+1