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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CSC=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CSC=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H30N4OS/c27-22(24-14-20-5-1-2-9-23-20)19-4-3-10-26(16-19)21-6-11-25(12-7-21)15-18-8-13-28-17-18/h1-2,5,8-9,13,17,19,21H,3-4,6-7,10-12,14-16H2,(H,24,27)/p+2/t19-/m0/s1