2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-ethyl-6-propyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-ethyl-6-propyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-chloro-3-nitro-phenyl)-5-ethyl-6-propyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-chloro-3-nitrophenyl)-5-ethyl-6-propyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(4-chloro-3-nitrophenyl)-5-ethyl-6-propylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-chloro-3-nitro-phenyl)-5-ethyl-6-propyl-pyridin-1-ium-3-carbonitrile Formula: C17H18ClN4O2+ MolecularWeight: 345.80342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC

Isomeric SMILES

CCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC

InChI

InChI=1S/C17H17ClN4O2/c1-3-5-14-11(4-2)16(12(9-19)17(20)21-14)10-6-7-13(18)15(8-10)22(23)24/h6-8H,3-5H2,1-2H3,(H2,20,21)/p+1