2-azanyl-4-(4-bromophenyl)-6-tert-butyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromophenyl)-6-tert-butyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-bromophenyl)-6-tert-butyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-bromophenyl)-6-tert-butyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(4-bromophenyl)-6-tert-butylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-bromophenyl)-6-tert-butyl-pyridin-1-ium-3-carbonitrile Formula: C16H17BrN3+ MolecularWeight: 331.23028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[NH+]C(=C(C(=C1)C2=CC=C(C=C2)Br)C#N)N

Isomeric SMILES

CC(C)(C)C1=[NH+]C(=C(C(=C1)C2=CC=C(C=C2)Br)C#N)N

InChI

InChI=1S/C16H16BrN3/c1-16(2,3)14-8-12(13(9-18)15(19)20-14)10-4-6-11(17)7-5-10/h4-8H,1-3H3,(H2,19,20)/p+1