(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[2-(4-phenylpyrimidin-2-yl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[2-(4-phenylpyrimidin-2-yl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[2-(4-phenylpyrimidin-2-yl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-[2-(4-phenyl-2-pyrimidinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[2-(4-phenylpyrimidin-2-yl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]nipecotamide Formula: C24H32N5O3+ MolecularWeight: 438.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCC2=NC=CC(=N2)C3=CC=CC=C3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCC2=NC=CC(=N2)C3=CC=CC=C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C24H31N5O3/c30-23-7-6-20(18-29(23)13-12-28-14-16-32-17-15-28)24(31)26-11-9-22-25-10-8-21(27-22)19-4-2-1-3-5-19/h1-5,8,10,20H,6-7,9,11-18H2,(H,26,31)/p+1/t20-/m0/s1