1,4-dimethyl-1,6-bis[(phenylmethyl)amino]-2-(phenylmethyl)imino-pyridin-1-ium-3-carbonitrile

Systemtic Name: 1,4-dimethyl-1,6-bis[(phenylmethyl)amino]-2-(phenylmethyl)imino-pyridin-1-ium-3-carbonitrile Openeye Name: 1,6-bis(benzylamino)-2-benzylimino-1,4-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 1,4-dimethyl-1,6-bis[(phenylmethyl)amino]-2-(phenylmethyl)imino-3-pyridin-1-iumcarbonitrile IUPAC Name: 1,6-bis(benzylamino)-2-benzylimino-1,4-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 1,6-bis(benzylamino)-2-benzylimino-1,4-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C29H30N5+ MolecularWeight: 448.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NCC2=CC=CC=C2)[N+](C(=C1)NCC3=CC=CC=C3)(C)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NCC2=CC=CC=C2)[N+](C(=C1)NCC3=CC=CC=C3)(C)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C29H30N5/c1-23-18-28(31-20-24-12-6-3-7-13-24)34(2,33-22-26-16-10-5-11-17-26)29(27(23)19-30)32-21-25-14-8-4-9-15-25/h3-18,31,33H,20-22H2,1-2H3/q+1