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

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-6-butyl-5-propyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-6-butyl-5-propyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-6-butyl-5-propyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-6-butyl-5-propylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-6-butyl-5-propyl-pyridin-1-ium-3-carbonitrile Formula: C19H23BrN3+ MolecularWeight: 373.31002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)Br)CCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=CC=C2)Br)CCC

InChI

InChI=1S/C19H22BrN3/c1-3-5-10-17-15(7-4-2)18(16(12-21)19(22)23-17)13-8-6-9-14(20)11-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H2,22,23)/p+1