phenylazanide; (E)-4-phenyl-2-pyridin-1-ium-1-yl-but-2-enenitrile

Systemtic Name: phenylazanide; (E)-4-phenyl-2-pyridin-1-ium-1-yl-but-2-enenitrile Openeye Name: phenylazanide; (E)-4-phenyl-2-pyridin-1-ium-1-yl-but-2-enenitrile CAS Name: phenylazanide; (E)-4-phenyl-2-(1-pyridin-1-iumyl)-2-butenenitrile IUPAC Name: phenylazanide; (E)-4-phenyl-2-pyridin-1-ium-1-ylbut-2-enenitrile Traditional Name: phenylazanide; (E)-4-phenyl-2-pyridin-1-ium-1-yl-but-2-enenitrile Formula: C21H19N3 MolecularWeight: 313.39566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC=C(C#N)[N+]2=CC=CC=C2.C1=CC=C(C=C1)[NH-]

Isomeric SMILES

C1=CC=C(C=C1)C/C=C(\C#N)/[N+]2=CC=CC=C2.C1=CC=C(C=C1)[NH-]

InChI

InChI=1S/C15H13N2.C6H6N/c16-13-15(17-11-5-2-6-12-17)10-9-14-7-3-1-4-8-14;7-6-4-2-1-3-5-6/h1-8,10-12H,9H2;1-5,7H/q+1;-1/b15-10+;