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

Systemtic Name: N-phenethyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenethyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-phenethyl-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenethyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenethyl-1-[1-(4-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=NC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=NC=C4

InChI

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