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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3/c1-3-5-7-12-19-17(11-6-4-2)18(14-23)20(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