N-aminocarbonyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: N-carbamoyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: N-carbamoyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: N-carbamoyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: N-carbamoyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]propionamide Formula: C15H21F3N5O2+ MolecularWeight: 360.35475

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CCC(=O)NC(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CCC(=O)NC(=O)N

InChI

InChI=1S/C15H20F3N5O2/c16-15(17,18)11-2-3-12(20-10-11)23-6-1-5-22(8-9-23)7-4-13(24)21-14(19)25/h2-3,10H,1,4-9H2,(H3,19,21,24,25)/p+1