1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-4-carboxamide CAS Name: 1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-N-(4-pyrimidinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(4-pyrimidylmethyl)isonipecotamide Formula: C25H36N5O+ MolecularWeight: 422.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(CC2)C(=O)NCC3=NC=NC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCC(CC2)C(=O)NCC3=NC=NC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H35N5O/c31-25(27-19-23-8-13-26-20-28-23)22-9-17-30(18-10-22)24-11-15-29(16-12-24)14-4-7-21-5-2-1-3-6-21/h1-3,5-6,8,13,20,22,24H,4,7,9-12,14-19H2,(H,27,31)/p+1