N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1-(2-pyrimidyl)isonipecotamide Formula: C24H34N5O+ MolecularWeight: 408.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCNC(=O)C2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCNC(=O)C2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N5O/c30-23(22-10-17-29(18-11-22)24-26-12-4-13-27-24)25-14-7-20-8-15-28(16-9-20)19-21-5-2-1-3-6-21/h1-6,12-13,20,22H,7-11,14-19H2,(H,25,30)/p+1