(3S)-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-neopentylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H38N4O+2 MolecularWeight: 374.56332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H36N4O/c1-22(2,3)17-25-13-9-20(10-14-25)26-12-6-7-18(16-26)21(27)24-15-19-8-4-5-11-23-19/h4-5,8,11,18,20H,6-7,9-10,12-17H2,1-3H3,(H,24,27)/p+2/t18-/m0/s1