2-azanyl-4-(3-bromophenyl)-5-butyl-6-pentyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-5-butyl-6-pentyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-5-butyl-6-pentyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-5-butyl-6-pentyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-5-butyl-6-pentylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-amyl-4-(3-bromophenyl)-5-butyl-pyridin-1-ium-3-carbonitrile Formula: C21H27BrN3+ MolecularWeight: 401.36318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)Br)CCCC

Isomeric SMILES

CCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)Br)CCCC

InChI

InChI=1S/C21H26BrN3/c1-3-5-7-12-19-17(11-6-4-2)20(18(14-23)21(24)25-19)15-9-8-10-16(22)13-15/h8-10,13H,3-7,11-12H2,1-2H3,(H2,24,25)/p+1