(3S)-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1-(2-pyrimidyl)nipecotamide Formula: C24H34N5O+ MolecularWeight: 408.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)NCCC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)C(=O)NCCC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N5O/c30-23(22-8-4-15-29(19-22)24-26-12-5-13-27-24)25-14-9-20-10-16-28(17-11-20)18-21-6-2-1-3-7-21/h1-3,5-7,12-13,20,22H,4,8-11,14-19H2,(H,25,30)/p+1/t22-/m0/s1