triethyl-[(2S,4R)-6-methyl-4-phenyl-4-(trifluoromethyl)-2,3-dihydroquinazolin-3-ium-1-id-2-yl]azanium

Systemtic Name: triethyl-[(2S,4R)-6-methyl-4-phenyl-4-(trifluoromethyl)-2,3-dihydroquinazolin-3-ium-1-id-2-yl]azanium Openeye Name: triethyl-[(2S,4R)-6-methyl-4-phenyl-4-(trifluoromethyl)-2,3-dihydroquinazolin-3-ium-1-id-2-yl]ammonium CAS Name: triethyl-[(2S,4R)-6-methyl-4-phenyl-4-(trifluoromethyl)-2,3-dihydroquinazolin-3-ium-1-id-2-yl]ammonium IUPAC Name: triethyl-[(2S,4R)-6-methyl-4-phenyl-4-(trifluoromethyl)-2,3-dihydroquinazolin-3-ium-1-id-2-yl]azanium Traditional Name: triethyl-[(2S,4R)-6-methyl-4-phenyl-4-(trifluoromethyl)-2,3-dihydroquinazolin-3-ium-1-id-2-yl]ammonium Formula: C22H29F3N3+ MolecularWeight: 392.48097

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)C1[NH2+]C(C2=C([N-]1)C=CC(=C2)C)(C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC[N+](CC)(CC)[C@@H]1[NH2+][C@@](C2=C([N-]1)C=CC(=C2)C)(C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H28F3N3/c1-5-28(6-2,7-3)20-26-19-14-13-16(4)15-18(19)21(27-20,22(23,24)25)17-11-9-8-10-12-17/h8-15,20,27H,5-7H2,1-4H3/p+1/t20-,21+/m0/s1