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

Systemtic Name: N-(pyridin-3-ylmethyl)-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(3-pyridylmethyl)-1-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-pyridinylmethyl)-1-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-1-[1-(3-thenyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C22H32N4OS+2 MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C22H30N4OS/c27-22(24-15-18-2-1-8-23-14-18)20-3-11-26(12-4-20)21-5-9-25(10-6-21)16-19-7-13-28-17-19/h1-2,7-8,13-14,17,20-21H,3-6,9-12,15-16H2,(H,24,27)/p+2