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

Systemtic Name: 2-chloranyl-4-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 4-(benzylamino)-2-chloro-pyridin-1-ium-3-carbonitrile CAS Name: 2-chloro-4-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(benzylamino)-2-chloropyridin-1-ium-3-carbonitrile Traditional Name: 4-(benzylamino)-2-chloro-pyridin-1-ium-3-carbonitrile Formula: C13H11ClN3+ MolecularWeight: 244.69954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)Cl)C#N

InChI

InChI=1S/C13H10ClN3/c14-13-11(8-15)12(6-7-16-13)17-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,16,17)/p+1