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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 4-(benzylamino)-2-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(benzylamino)-2-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile Traditional Name: 4-(benzylamino)-2-[(4-chlorobenzyl)thio]pyridin-1-ium-3-carbonitrile Formula: C20H17ClN3S+ MolecularWeight: 366.88708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)SCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H16ClN3S/c21-17-8-6-16(7-9-17)14-25-20-18(12-22)19(10-11-23-20)24-13-15-4-2-1-3-5-15/h1-11H,13-14H2,(H,23,24)/p+1