(3S)-N-tert-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-tert-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-tert-butyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-tert-butyl-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-tert-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-tert-butyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H34N4O/c1-21(2,3)23-20(26)18-5-4-12-25(16-18)19-8-13-24(14-9-19)15-17-6-10-22-11-7-17/h6-7,10-11,18-19H,4-5,8-9,12-16H2,1-3H3,(H,23,26)/p+2/t18-/m0/s1