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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H34N4O/c1-17(2)15-24-11-7-20(8-12-24)25-10-4-6-19(16-25)21(26)23-14-18-5-3-9-22-13-18/h3,5,9,13,17,19-20H,4,6-8,10-12,14-16H2,1-2H3,(H,23,26)/p+2/t19-/m0/s1