4-(2-azanyl-1-phenyl-ethyl)-1-tert-butyl-piperidin-1-ium-1,4-dicarboxylic acid

Systemtic Name: 4-(2-azanyl-1-phenyl-ethyl)-1-tert-butyl-piperidin-1-ium-1,4-dicarboxylic acid Openeye Name: 4-(2-amino-1-phenyl-ethyl)-1-tert-butyl-piperidin-1-ium-1,4-dicarboxylic acid CAS Name: 4-(2-amino-1-phenylethyl)-1-tert-butylpiperidin-1-ium-1,4-dicarboxylic acid IUPAC Name: 4-(2-amino-1-phenylethyl)-1-tert-butylpiperidin-1-ium-1,4-dicarboxylic acid Traditional Name: 4-(2-amino-1-phenyl-ethyl)-1-tert-butyl-piperidin-1-ium-1,4-dicarboxylic acid Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CCC(CC1)(C(CN)C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(CCC(CC1)(C(CN)C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C19H28N2O4/c1-18(2,3)21(17(24)25)11-9-19(10-12-21,16(22)23)15(13-20)14-7-5-4-6-8-14/h4-8,15H,9-13,20H2,1-3H3,(H-,22,23,24,25)/p+1