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

Systemtic Name: 4-[bis(phenylmethyl)amino]-2-(dimethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 4-(dibenzylamino)-2-(dimethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 4-[bis(phenylmethyl)amino]-2-(dimethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(dibenzylamino)-2-(dimethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 4-(dibenzylamino)-2-(dimethylamino)pyridin-1-ium-3-carbonitrile Formula: C22H23N4+ MolecularWeight: 343.44482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C=CC(=C1C#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=[NH+]C=CC(=C1C#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N4/c1-25(2)22-20(15-23)21(13-14-24-22)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3/p+1