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

Systemtic Name: 2-azanyl-5-butyl-4-(4-nitrophenyl)-6-pentyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-butyl-4-(4-nitrophenyl)-6-pentyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-butyl-4-(4-nitrophenyl)-6-pentyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-butyl-4-(4-nitrophenyl)-6-pentylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-amyl-5-butyl-4-(4-nitrophenyl)pyridin-1-ium-3-carbonitrile Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-3-5-7-9-19-17(8-6-4-2)20(18(14-22)21(23)24-19)15-10-12-16(13-11-15)25(26)27/h10-13H,3-9H2,1-2H3,(H2,23,24)/p+1