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

Systemtic Name: (3S)-N-cyclopentyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopentyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopentyl-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopentyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopentyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C22H36N4O+2 MolecularWeight: 372.54744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H34N4O/c27-22(24-20-5-1-2-6-20)19-4-3-13-26(17-19)21-9-14-25(15-10-21)16-18-7-11-23-12-8-18/h7-8,11-12,19-21H,1-6,9-10,13-17H2,(H,24,27)/p+2/t19-/m0/s1