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

Systemtic Name: (3S)-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-neopentylpiperidin-1-ium-4-yl)-N-(3-pyridylmethyl)nipecotamide Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)N2CCCC(C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H36N4O/c1-22(2,3)17-25-12-8-20(9-13-25)26-11-5-7-19(16-26)21(27)24-15-18-6-4-10-23-14-18/h4,6,10,14,19-20H,5,7-9,11-13,15-17H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1