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

Systemtic Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C21H36N5O3+ MolecularWeight: 406.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O3/c1-4-26-17(3)19(16(2)23-26)14-22-21(28)18-6-7-20(27)25(15-18)9-5-8-24-10-12-29-13-11-24/h18H,4-15H2,1-3H3,(H,22,28)/p+1/t18-/m0/s1