(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-tert-butylphenyl)methyl]-methyl-azanium

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-tert-butylphenyl)methyl]-methyl-azanium Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl-(4-tert-butylbenzyl)-methyl-ammonium Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C21H24BrN3O/c1-21(2,3)16-7-5-15(6-8-16)12-24(4)14-18-11-20(26)25-13-17(22)9-10-19(25)23-18/h5-11,13H,12,14H2,1-4H3/p+1