2-azanyl-5-butyl-6-pentyl-4-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-5-butyl-6-pentyl-4-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-butyl-6-pentyl-4-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-butyl-6-pentyl-4-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-butyl-6-pentyl-4-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-amyl-5-butyl-4-phenyl-pyridin-1-ium-3-carbonitrile Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3/c1-3-5-8-14-19-17(13-6-4-2)20(16-11-9-7-10-12-16)18(15-22)21(23)24-19/h7,9-12H,3-6,8,13-14H2,1-2H3,(H2,23,24)/p+1