(3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C20H34N5O3+ MolecularWeight: 392.51566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H33N5O3/c1-4-25-16(3)18(15(2)22-25)13-21-20(27)17-5-6-19(26)24(14-17)8-7-23-9-11-28-12-10-23/h17H,4-14H2,1-3H3,(H,21,27)/p+1/t17-/m0/s1