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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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