1-[5-nitro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[(2,2,6,6-tetramethyl-4-piperidyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-[(2,2,6,6-tetramethyl-4-piperidyl)amino]pyrimidin-4-yl]isonipecotic acid Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1)(C)C)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1(CC(CC(N1)(C)C)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C19H30N6O4/c1-18(2)9-13(10-19(3,4)23-18)22-15-14(25(28)29)16(21-11-20-15)24-7-5-12(6-8-24)17(26)27/h11-13,23H,5-10H2,1-4H3,(H,26,27)(H,20,21,22)