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

Systemtic Name: 1-[1-[(2S)-4-methylpentan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(1S)-1,3-dimethylbutyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2S)-4-methylpentan-2-yl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2S)-4-methylpentan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(1S)-1,3-dimethylbutyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H40N4O+2 MolecularWeight: 388.5899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C[C@@H](CC(C)C)[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H38N4O/c1-18(2)15-19(3)26-13-8-22(9-14-26)27-11-6-21(7-12-27)23(28)25-17-20-5-4-10-24-16-20/h4-5,10,16,18-19,21-22H,6-9,11-15,17H2,1-3H3,(H,25,28)/p+2/t19-/m0/s1