2-azanyl-4-(4-chlorophenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-chlorophenyl)-6-(1-pyrrolidinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-chlorophenyl)-6-pyrrolidino-pyridin-1-ium-3,5-dicarbonitrile Formula: C17H15ClN5+ MolecularWeight: 324.7875

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C#N)N

Isomeric SMILES

C1CCN(C1)C2=[NH+]C(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C#N)N

InChI

InChI=1S/C17H14ClN5/c18-12-5-3-11(4-6-12)15-13(9-19)16(21)22-17(14(15)10-20)23-7-1-2-8-23/h3-6H,1-2,7-8H2,(H2,21,22)/p+1