(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-isopropylpyrazol-4-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1-isopropylpyrazol-4-yl)methyl]-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C20H34N5O3+ MolecularWeight: 392.51566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CC(C)N1C=C(C=N1)CNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H33N5O3/c1-16(2)25-14-17(13-22-25)12-21-20(27)18-4-5-19(26)24(15-18)7-3-6-23-8-10-28-11-9-23/h13-14,16,18H,3-12,15H2,1-2H3,(H,21,27)/p+1/t18-/m0/s1