1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-isonipecotamide Formula: C22H22ClF3N5O2+ MolecularWeight: 480.89059

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3CCN(CC3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3CCN(CC3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C22H21ClF3N5O2/c1-30(12-18-28-17-5-3-2-4-15(17)20(32)29-18)21(33)13-6-8-31(9-7-13)19-16(23)10-14(11-27-19)22(24,25)26/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,29,32)/p+1