(3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-[2-(2-pyridinyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCC4=CC=CC=N4

Isomeric SMILES

C1C[C@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C25H34N4O/c30-25(27-15-11-23-10-4-5-14-26-23)22-9-6-16-29(20-22)24-12-17-28(18-13-24)19-21-7-2-1-3-8-21/h1-5,7-8,10,14,22,24H,6,9,11-13,15-20H2,(H,27,30)/p+2/t22-/m1/s1