(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[(2-phenyloxazol-4-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-[(2-phenyl-4-oxazolyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)-N-[(2-phenyloxazol-4-yl)methyl]nipecotamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=COC(=N2)C3=CC=CC=C3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=COC(=N2)C3=CC=CC=C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C22H28N4O4/c27-20-7-6-18(15-26(20)9-8-25-10-12-29-13-11-25)21(28)23-14-19-16-30-22(24-19)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,23,28)/p+1/t18-/m0/s1