N-phenethyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-phenethyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenethyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-phenethyl-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenethyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenethyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

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