N-(cyclopenta-1,4-dien-1-ylmethyl)-4-[4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]aniline

Systemtic Name: N-(cyclopenta-1,4-dien-1-ylmethyl)-4-[4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]aniline Openeye Name: 4-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N-(cyclopenta-1,4-dien-1-ylmethyl)aniline CAS Name: N-(1-cyclopenta-1,4-dienylmethyl)-4-[4-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]aniline IUPAC Name: 4-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N-(cyclopenta-1,4-dien-1-ylmethyl)aniline Traditional Name: [4-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]-(cyclopenta-1,4-dien-1-ylmethyl)amine Formula: C29H27N3+2 MolecularWeight: 417.54478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C1)CNC2=CC=C(C=C2)[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C=CC(=C1)CNC2=CC=C(C=C2)[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H26N3/c1-2-8-25(9-3-1)23-31-18-14-26(15-19-31)27-16-20-32(21-17-27)29-12-10-28(11-13-29)30-22-24-6-4-5-7-24/h1-4,6-21H,5,22-23H2/q+1/p+1