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

Systemtic Name: (3S)-N-(2-methylpropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-isobutyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-methylpropyl)-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-methylpropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-isobutyl-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)CNC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O/c1-17(2)14-23-21(26)19-4-3-11-25(16-19)20-7-12-24(13-8-20)15-18-5-9-22-10-6-18/h5-6,9-10,17,19-20H,3-4,7-8,11-16H2,1-2H3,(H,23,26)/p+2/t19-/m0/s1