4-[(phenylmethyl)amino]-2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-[(phenylmethyl)amino]-2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 4-(benzylamino)-2-(3-pyridylmethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 4-[(phenylmethyl)amino]-2-(3-pyridinylmethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(benzylamino)-2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 4-(benzylamino)-2-(3-pyridylmethylamino)pyridin-1-ium-3-carbonitrile Formula: C19H18N5+ MolecularWeight: 316.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)NCC3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)NCC3=CN=CC=C3)C#N

InChI

InChI=1S/C19H17N5/c20-11-17-18(23-13-15-5-2-1-3-6-15)8-10-22-19(17)24-14-16-7-4-9-21-12-16/h1-10,12H,13-14H2,(H2,22,23,24)/p+1