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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O/c1-3-17(2)24-13-8-20(9-14-24)25-11-6-19(7-12-25)21(26)23-16-18-5-4-10-22-15-18/h4-5,10,15,17,19-20H,3,6-9,11-14,16H2,1-2H3,(H,23,26)/p+2/t17-/m0/s1