N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-allyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-allyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C17H21F3N5O+ MolecularWeight: 368.37675

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=N2

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=N2

InChI

InChI=1S/C17H20F3N5O/c1-2-7-21-16(26)11-24-8-5-13(6-9-24)25-15-4-3-12(17(18,19)20)10-14(15)22-23-25/h2-4,10,13H,1,5-9,11H2,(H,21,26)/p+1