(3S)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[3-(2-ethyl-1-imidazolyl)propyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[3-(2-ethylimidazol-1-yl)propyl]-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:

CCC1=NC=CN1CCCNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=NC=CN1CCCNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H35N5O3/c1-2-19-22-8-12-25(19)10-3-7-23-21(28)18-5-6-20(27)26(17-18)11-4-9-24-13-15-29-16-14-24/h8,12,18H,2-7,9-11,13-17H2,1H3,(H,23,28)/p+1/t18-/m0/s1